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0 0 0 0 0 0 0 0 3.7449 7.0126 -3.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5556 9.4580 -4.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8451 8.1810 -5.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 22 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 23 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 13 14 1 0 0 0 0 14 24 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 6 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 M END $$$$ androsterone cfcorina2102109815133D 1 1.00000 0.00000 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0 0 0 0 0 -3.5312 9.8620 -0.5855 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4255 6.8007 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2642 3.5056 1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 -0.0028 0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4846 5.5135 0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2748 5.2807 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2363 7.5529 1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7517 1.2372 -0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2223 1.2111 -2.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 1.1978 -1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2611 3.4827 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2809 3.4532 -2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7598 1.2210 1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2175 1.2506 2.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4983 5.5180 2.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0386 5.5127 3.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 3.2559 2.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 3.2941 3.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5909 5.3390 -2.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1769 5.2011 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 7.6357 -1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8534 7.5030 -2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9081 1.9962 0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4417 3.4505 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4437 3.4335 -0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 9.9909 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3572 9.5499 2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9123 7.3163 2.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3719 8.0141 3.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2327 5.7317 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9358 6.9991 1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 7.1284 -0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 14 1 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 22 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 7 24 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 25 1 0 0 0 0 8 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 13 26 1 0 0 0 0 13 19 1 0 0 0 0 13 16 1 0 0 0 0 14 27 1 0 0 0 0 16 21 1 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 M END $$$$ corticosterone cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 55 58 0 0 1 0 0 0 0 0 1 V2000 -0.2795 1.2913 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5705 2.0858 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 3.1169 -1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2867 4.0276 -0.9512 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9563 3.3232 -0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 2.0652 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0131 4.7444 -2.2792 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2109 5.6581 -2.1199 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4382 4.7979 -1.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2659 4.0907 -0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2513 5.5395 -2.6822 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9989 6.3903 -3.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1758 7.2995 -3.6315 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4071 6.3956 -3.4316 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2764 0.0782 0.0141 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 5.0895 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 6.4008 -1.6042 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5418 7.4260 -3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1277 8.3791 -4.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6056 8.2474 -4.7463 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0444 9.5949 -4.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5427 10.4753 -3.9837 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 9.8439 -5.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8214 11.1852 -4.8152 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0969 8.0908 -2.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1968 4.0002 -3.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0405 6.3716 -1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 4.8468 -2.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5061 5.6884 -4.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4074 6.8872 -1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 7.8292 -5.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 11.3025 -5.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4177 1.4204 -0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6788 2.5919 0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4187 2.5966 -2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3979 3.7216 -1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8933 1.6126 0.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 4.0344 -2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 5.4278 -1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 4.8348 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 3.3998 -0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7589 5.7444 -4.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8818 6.9878 -4.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 4.6721 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 5.9491 -0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6686 5.4037 -0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 7.9643 -2.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4954 6.9459 -3.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 9.4068 -4.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6204 8.0817 -5.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4237 9.6958 -6.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1295 9.1488 -4.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0794 7.4151 -1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 8.8552 -2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0756 8.5657 -2.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 26 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 27 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 28 1 0 0 0 0 11 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 25 1 0 0 0 0 13 20 1 0 0 0 0 13 14 1 0 0 0 0 14 29 1 0 0 0 0 14 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 31 1 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 24 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 6 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 M END $$$$ cortisol cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 56 59 0 0 1 0 0 0 0 0 1 V2000 -0.3312 1.2052 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6213 2.0010 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5398 3.0472 -1.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3345 3.9541 -0.9123 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9075 3.2421 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9152 1.9779 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0591 4.6884 -2.2303 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1660 5.5983 -2.0580 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3920 4.7323 -1.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 4.0077 -0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 5.4905 -2.6231 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0419 6.3579 -3.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1338 7.2614 -3.5477 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3298 -0.0081 -0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 5.0021 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 8.0356 -2.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6673 6.3376 -1.5338 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 3.9545 -3.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 6.3010 -1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1146 4.8016 -2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4509 6.8289 -1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3638 6.3533 -3.3595 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4998 7.3823 -3.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0876 8.3515 -4.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 8.2238 -4.6493 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0829 9.5696 -4.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 10.4430 -3.8614 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2249 7.6934 -5.9318 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4676 9.8255 -4.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 11.1636 -4.6749 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4623 5.6571 -4.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 8.3393 -6.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 11.2855 -5.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4692 1.3390 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 2.4942 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4676 2.5398 -2.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4459 3.6529 -1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 1.5199 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 3.9792 -2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2819 5.3607 -1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 4.7409 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0446 3.3135 -0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8023 5.7232 -4.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9239 6.9596 -4.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5509 4.5711 1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0201 5.8625 0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7151 5.3193 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1224 7.3484 -1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 8.7972 -2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 8.5127 -2.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5468 7.9077 -2.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 6.9040 -3.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3516 9.3754 -4.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5805 8.0661 -5.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 9.6896 -6.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1687 9.1257 -4.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 18 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 20 1 0 0 0 0 11 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 13 22 1 0 0 0 0 17 21 1 0 0 0 0 22 31 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 25 26 1 0 0 0 0 26 29 1 0 0 0 0 26 27 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 30 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 6 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 M END $$$$ cortisone cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 54 57 0 0 1 0 0 0 0 0 1 V2000 0.2005 1.3930 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1206 2.1370 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0758 3.1511 -0.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0905 4.1111 -0.7525 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3598 3.4632 -0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4147 2.2140 0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3579 4.7999 -2.0935 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5384 5.7713 -1.9273 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7978 4.9621 -1.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6413 4.2763 -0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 5.5563 -2.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7422 6.5573 -3.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4403 7.4509 -3.3497 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2506 0.1814 0.2809 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3009 5.1853 0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1867 8.1761 -2.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9302 5.3698 -2.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6776 6.5490 -3.2204 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8073 7.5870 -3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3523 8.5837 -4.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 8.4568 -4.4297 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1863 9.7913 -4.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 10.6424 -3.5517 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4463 7.9737 -5.7183 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2146 10.0637 -4.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6003 11.3868 -4.2644 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6131 4.0476 -2.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 6.4591 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 5.8685 -4.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 8.6447 -6.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5001 11.5200 -4.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 1.4367 0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 2.6548 1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 2.6174 -1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0057 3.7197 -0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 1.8029 0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9419 4.2016 -2.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6617 5.6263 -1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 5.0250 0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4921 3.6158 -0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5595 6.0342 -4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 7.1530 -3.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 4.7151 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5237 5.8874 0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1824 5.7186 -0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0658 7.4480 -1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 8.7201 -1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6392 8.8769 -2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 8.0873 -2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7547 7.1210 -3.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6196 9.6015 -4.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8157 8.3270 -5.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 9.9713 -5.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 9.3438 -4.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 27 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 28 1 0 0 0 0 8 18 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 17 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 18 1 0 0 0 0 18 29 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 22 23 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 26 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 6 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 M END $$$$ dehydroepiandrosterone cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 49 52 0 0 1 0 0 0 0 0 1 V2000 -0.0119 1.0733 -0.0315 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7200 1.5670 1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 0.9704 1.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9467 1.4605 0.1039 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2100 1.1451 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 1.5826 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3394 0.8549 0.1447 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9906 0.9020 -1.2443 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1325 0.0718 -2.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7387 0.5185 -2.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1897 1.5856 1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6332 1.0592 1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3774 0.2961 -1.1187 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3295 1.5655 -0.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0836 2.9806 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1928 1.2204 -0.1944 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6088 0.7729 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6699 0.2454 -1.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 0.3109 -2.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5148 0.8200 0.3886 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0352 2.6718 -0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0009 -0.0166 -0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2509 -0.1885 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0593 1.9320 -1.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3190 -0.7123 -0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7392 1.2321 -0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 1.2596 2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7881 2.6546 1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 -0.1174 1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 1.2859 2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7047 2.6706 -1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 1.1596 -2.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1364 -0.9711 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5379 0.1483 -3.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1295 0.3432 -3.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7445 1.4490 2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2034 2.6492 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6397 0.0067 1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2276 1.6387 1.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0935 3.4362 0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6647 3.3534 -0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5902 3.2351 1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0256 -0.7849 -1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3306 0.8706 -2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0619 1.2322 -2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0069 -0.5612 -3.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9903 2.9693 -0.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3515 2.7614 -1.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6514 3.3186 -0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 14 1 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 7 23 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 24 1 0 0 0 0 8 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 13 25 1 0 0 0 0 13 19 1 0 0 0 0 13 16 1 0 0 0 0 14 26 1 0 0 0 0 16 21 1 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 M END $$$$ 11-deoxycorticosterone cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 54 57 0 0 1 0 0 0 0 0 1 V2000 0.1082 0.8186 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1783 1.6056 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1408 2.7473 -1.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0717 3.6380 -1.0416 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3298 2.8921 -0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3533 1.5940 -0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2932 4.4876 -2.2990 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5259 5.3809 -2.0969 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7620 4.4940 -1.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 3.6557 -0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9578 5.3189 -2.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 6.2934 -3.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 7.1673 -3.3890 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6709 6.2490 -3.3334 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1082 -0.3903 -0.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2279 4.5865 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 7.2766 -3.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3498 8.3426 -4.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8225 8.2250 -4.4178 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1848 9.5463 -4.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7963 10.3613 -3.4254 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2162 9.8505 -4.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5943 11.1536 -4.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2179 7.8229 -2.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 3.8265 -3.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 6.0080 -1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 5.6297 -4.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5219 7.9083 -5.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4944 11.3082 -4.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0338 0.9602 -0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2457 2.0100 0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1094 2.3280 -2.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0447 3.3472 -1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2913 1.1118 -0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8438 3.8133 -2.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6537 5.1185 -1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6585 4.3142 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4721 2.9527 -0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 4.6497 -2.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 5.8873 -1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5503 5.7373 -4.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6429 6.9105 -3.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4239 4.0058 1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6293 5.2386 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1027 5.1907 -0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8946 7.7151 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7496 6.8222 -3.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6258 9.3394 -3.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8035 8.1422 -5.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2534 9.8158 -5.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9038 9.1112 -4.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0243 7.0524 -1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1094 8.3841 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6352 8.4992 -2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 25 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 26 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 24 1 0 0 0 0 13 19 1 0 0 0 0 13 14 1 0 0 0 0 14 27 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 28 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 23 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 6 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 M END $$$$ 11-deoxycortisol cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 55 58 0 0 1 0 0 0 0 0 1 V2000 -0.0501 1.0317 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 1.8411 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2496 2.9382 -1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0303 3.8210 -0.9334 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2085 3.0731 -0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 1.7896 -0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 4.6136 -2.2192 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4746 5.4986 -2.0229 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6933 4.6039 -1.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5291 3.8205 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 5.4489 -2.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7496 6.3702 -3.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4427 7.2427 -3.4168 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0645 -0.1804 -0.2109 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3461 4.8216 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1996 7.9582 -2.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 6.3115 -3.2905 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8125 7.3252 -3.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3963 8.3523 -4.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 8.2507 -4.4786 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2427 9.5935 -4.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8459 10.4245 -3.5713 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5039 7.7856 -5.7792 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1377 9.8994 -4.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 11.2244 -4.3436 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 3.9149 -3.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 6.1641 -1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7401 5.6542 -4.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7966 8.4581 -6.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 11.3794 -4.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1881 1.1991 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4163 2.2888 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1985 2.4764 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1474 3.5537 -1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 1.3056 0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 3.8869 -2.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 5.2185 -1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5338 4.5149 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3486 3.1096 -0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8277 4.7811 -2.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2596 6.0580 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 5.7733 -4.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6265 6.9927 -3.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 4.2823 1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5158 5.4691 0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 5.4264 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 7.2214 -1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 8.5353 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6549 8.6278 -2.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8806 7.8043 -2.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7557 6.8461 -3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6774 9.3592 -4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8717 8.1051 -5.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1406 9.8225 -5.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 9.1868 -4.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 26 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 27 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 13 17 1 0 0 0 0 17 28 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 23 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 21 22 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 25 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 6 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 M END $$$$ dihydrotestosterone cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 51 54 0 0 1 0 0 0 0 0 1 V2000 0.0462 1.2042 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2677 1.9541 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 2.9786 -1.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 3.8786 -0.9813 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2436 3.0424 -1.1378 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3252 2.0099 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0852 4.9430 -2.0794 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1464 5.8547 -1.9772 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4076 5.0062 -2.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4732 3.9515 -1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3727 5.7504 -1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4235 6.8888 -2.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1954 7.7504 -2.7693 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0348 6.8866 -3.0836 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0723 -0.0031 -0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0268 4.5581 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1363 8.2127 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1403 7.9472 -3.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4705 9.1209 -3.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 8.9478 -3.7000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5761 10.1228 -3.0942 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 2.5277 -2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 4.4468 -3.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 6.3503 -1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 6.3970 -4.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 8.7534 -4.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4475 10.8462 -3.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0923 1.2553 -0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3785 2.4671 0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2346 2.4575 -2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 3.5887 -1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4428 2.5217 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1735 1.3464 -0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 4.5080 -3.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 5.6465 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 4.4491 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3749 3.3516 -1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 5.0891 -2.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4311 6.1753 -0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 6.4753 -3.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3248 7.4838 -2.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0022 3.7990 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 5.1984 0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9285 5.1610 0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1849 7.3455 -0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7967 8.7489 -1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9787 8.8731 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4147 8.2522 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 7.5792 -3.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7934 10.0739 -3.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7262 9.0714 -4.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 22 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 7 23 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 24 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 13 14 1 0 0 0 0 14 25 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 26 1 0 0 0 0 20 21 1 0 0 0 0 21 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 M END $$$$ estradiol cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 44 47 0 0 1 0 0 0 0 0 1 V2000 0.1073 1.3597 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 2.0197 0.0015 C 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 21 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 22 1 0 0 0 0 8 16 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 16 1 0 0 0 0 14 23 1 0 0 0 0 16 24 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 25 1 0 0 0 0 19 20 1 0 0 0 0 20 26 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 6 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 M END $$$$ estriol cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 45 48 0 0 1 0 0 0 0 0 1 V2000 0.1073 1.3597 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 2.0197 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 3.3983 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0357 4.1319 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2513 3.4787 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2825 2.0910 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 5.6292 -0.0061 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2527 6.2484 0.4931 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3936 5.6709 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5694 4.2070 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 6.1313 0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3074 7.6704 0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0142 8.1987 1.2953 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1485 0.0013 -0.0251 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 7.6217 2.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1223 7.7484 0.3275 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3067 8.5831 0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6638 9.9709 1.0978 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1815 9.7135 1.3248 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1870 10.2277 2.6061 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 10.8223 -0.0366 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 5.9479 -1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4031 6.0027 1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 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3.0762 8.6582 0.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 22 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 23 1 0 0 0 0 8 16 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 16 1 0 0 0 0 14 24 1 0 0 0 0 16 25 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 26 1 0 0 0 0 18 21 1 0 0 0 0 18 19 1 0 0 0 0 19 27 1 0 0 0 0 19 20 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 6 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 M END $$$$ estrone cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 42 45 0 0 1 0 0 0 0 0 1 V2000 0.1409 1.3614 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0821 2.0160 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 3.3944 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 4.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2755 3.4858 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 2.0983 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0441 5.6305 -0.0070 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2641 6.2543 0.4956 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4090 5.6834 -0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5904 4.2197 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2291 6.1247 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3027 7.6636 0.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0157 8.1968 1.2991 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1883 0.0033 -0.0326 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 7.6130 2.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1281 7.7546 0.3320 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3037 8.5903 0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6364 9.9612 1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1815 9.6863 1.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6828 10.5102 1.5182 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1921 5.9506 -1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4137 6.0075 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1988 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0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 21 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 22 1 0 0 0 0 8 16 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 16 1 0 0 0 0 14 23 1 0 0 0 0 16 24 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 6 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 M END $$$$ etiocholanolone cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 51 54 0 0 1 0 0 0 0 0 1 V2000 -0.0114 1.0872 0.1062 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7415 1.5760 -1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1778 1.0491 -1.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 1.5664 0.1074 C 0 0 1 0 0 0 0 0 0 0 0 0 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2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2744 5.3007 2.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7199 5.9746 3.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6229 3.7206 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3088 4.9991 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4196 5.1295 -0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 14 1 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 22 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 7 24 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 25 1 0 0 0 0 8 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 13 26 1 0 0 0 0 13 19 1 0 0 0 0 13 16 1 0 0 0 0 14 27 1 0 0 0 0 16 21 1 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 M END $$$$ pregnenolone cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 55 58 0 0 1 0 0 0 0 0 1 V2000 0.0304 0.8890 0.0195 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6743 1.4368 1.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0971 0.8792 1.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8941 1.3557 0.1179 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1559 0.9854 -1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 1.3822 -1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3021 0.7869 0.1629 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9401 0.8152 -1.2331 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0986 -0.0673 -2.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6926 0.3443 -2.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1429 1.5651 1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 1.0783 1.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 0.2598 -1.1046 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3844 1.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9929 2.8813 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1458 1.2282 -0.2133 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5800 0.7286 -0.4228 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.6272 0.4356 -1.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1745 0.2093 -2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5762 1.7962 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9800 2.6680 -0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0177 2.5329 -0.8992 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0215 1.9445 1.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 -0.2006 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2428 -0.2503 0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9723 1.8367 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3112 -0.7287 -0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7916 0.9785 -0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7591 -0.1810 0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1214 1.1398 2.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7137 2.5247 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0608 -0.2102 1.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 1.2333 2.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6103 2.4669 -1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 0.9225 -2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1343 -1.0998 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4934 -0.0093 -3.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 0.1280 -2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7106 1.4419 2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 2.6224 0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 0.0320 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1834 1.6870 1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9914 3.3111 0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5573 3.2444 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5004 3.1750 1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2344 -0.4489 -2.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0357 1.2938 -2.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8538 0.9900 -3.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0857 -0.7704 -2.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5815 3.3340 -0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9312 2.9567 -0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3092 2.7391 -1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4911 1.0186 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1575 2.1596 2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7380 2.7625 1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 14 1 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 7 25 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 26 1 0 0 0 0 8 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 13 27 1 0 0 0 0 13 19 1 0 0 0 0 13 16 1 0 0 0 0 14 28 1 0 0 0 0 16 21 1 0 0 0 0 16 17 1 0 0 0 0 17 29 1 0 0 0 0 17 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 23 1 0 0 0 0 20 22 2 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 M END $$$$ 17a-hydroxypregnenolone cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 56 59 0 0 1 0 0 0 0 0 1 V2000 0.0387 0.9233 0.1963 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6997 1.4702 1.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1197 0.9018 1.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 1.3702 0.2231 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1197 1.0077 -1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 1.4102 -1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2943 0.7883 0.2332 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9007 0.8258 -1.1764 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0331 -0.0440 -2.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 0.3698 -2.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1607 1.5488 1.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6157 1.0547 1.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3059 0.2588 -1.0869 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3903 1.3869 0.2092 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 2.8947 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1268 1.2148 -0.2006 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5666 0.7793 -0.4535 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5757 0.2128 -1.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1082 0.2665 -2.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4957 1.9612 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9218 2.6569 -0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8068 2.5744 -1.3415 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0366 2.3778 0.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9484 -0.2339 0.4791 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 -0.1663 0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2325 -0.2518 0.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9307 1.8504 -1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2850 -0.7433 -0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 1.0204 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8632 -0.4714 0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1665 1.1802 2.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7459 2.5576 1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0753 -0.1872 1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6263 1.2538 2.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5765 2.4951 -1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 0.9506 -1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0738 -1.0802 -1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4034 0.0232 -3.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9961 0.1585 -2.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 1.4141 2.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1434 2.6097 0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6547 0.0055 1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2186 1.6543 1.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 3.3342 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5517 3.2526 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5384 3.1835 1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9356 -0.8160 -1.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2082 0.8282 -2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9201 1.1808 -2.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8755 -0.6126 -2.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8672 2.9195 -0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2385 2.7499 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5137 3.3285 -0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6064 1.5557 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2089 2.6341 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6857 3.2448 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 14 1 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 7 26 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 27 1 0 0 0 0 8 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 13 28 1 0 0 0 0 13 19 1 0 0 0 0 13 16 1 0 0 0 0 14 29 1 0 0 0 0 16 21 1 0 0 0 0 16 17 1 0 0 0 0 17 24 1 0 0 0 0 17 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 24 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 M END $$$$ progesterone cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 53 56 0 0 1 0 0 0 0 0 1 V2000 0.1081 0.8187 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1784 1.6057 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1408 2.7474 -1.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 3.6381 -1.0416 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3297 2.8922 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3532 1.5942 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2932 4.4877 -2.2990 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5259 5.3811 -2.0969 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7619 4.4941 -1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6409 3.6559 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9578 5.3190 -2.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 6.2934 -3.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4356 7.1674 -3.3891 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6709 6.2490 -3.3333 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1082 -0.3901 -0.4884 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2281 4.5866 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2178 7.8230 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 7.2767 -3.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3498 8.3426 -4.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8225 8.2250 -4.4179 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1847 9.5463 -4.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 3.8266 -3.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3908 6.0081 -1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7339 5.6297 -4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5219 7.9083 -5.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7962 10.3613 -3.4256 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2162 9.8505 -4.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0338 0.9604 -0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 2.0101 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1094 2.3281 -2.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0447 3.3473 -1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2913 1.1120 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8438 3.8134 -2.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6536 5.1187 -1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6584 4.3145 0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 2.9529 -0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 4.6497 -2.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2058 5.8874 -1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5502 5.7373 -4.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 6.9105 -3.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 4.0060 1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 5.2388 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1028 5.1909 -0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0242 7.0526 -1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1093 8.3842 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6353 8.4993 -2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8946 7.7153 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7496 6.8223 -3.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6257 9.3395 -3.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8036 8.1422 -5.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9038 9.1112 -4.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5046 10.8445 -4.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2534 9.8158 -5.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 22 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 23 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 13 14 1 0 0 0 0 14 24 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 25 1 0 0 0 0 20 21 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 6 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$ 17a-hydroxyprogesterone cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 54 57 0 0 1 0 0 0 0 0 1 V2000 -0.0507 1.0334 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3296 1.8428 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 2.9395 -1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0309 3.8224 -0.9328 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2079 3.0749 -0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 1.7915 -0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2347 4.6147 -2.2188 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4741 5.4999 -2.0224 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6928 4.6053 -1.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5283 3.8224 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9972 5.4497 -2.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7496 6.3706 -3.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4425 7.2433 -3.4172 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6630 6.3123 -3.2902 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0649 -0.1787 -0.2088 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3471 4.8235 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1989 7.9593 -2.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8122 7.3261 -3.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3963 8.3528 -4.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8705 8.2510 -4.4793 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2425 9.5939 -4.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8455 10.4251 -3.5729 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1378 9.8993 -4.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5043 7.7854 -5.7798 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 3.9157 -3.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3253 6.1657 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7403 5.6547 -4.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7972 8.4577 -6.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1886 1.2006 -0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4173 2.2908 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1987 2.4773 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1479 3.5550 -1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 1.3077 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7869 3.8881 -2.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5915 5.2201 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5327 4.5171 0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3479 3.1117 -0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8279 4.7818 -2.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2602 6.0591 -1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 5.7734 -4.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6265 6.9930 -3.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 4.2844 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5146 5.4711 0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2069 5.4281 -0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 7.2228 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0834 8.5365 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6556 8.6288 -2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 7.8056 -2.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7556 6.8470 -3.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6772 9.3598 -4.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 8.1053 -5.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8497 9.1868 -4.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4216 10.9101 -4.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1405 9.8220 -5.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 25 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 26 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 13 14 1 0 0 0 0 14 27 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 6 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 M END $$$$ testosterone cfcorina2102109815133D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 49 52 0 0 1 0 0 0 0 0 1 V2000 -0.0585 1.2072 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3543 1.9939 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2626 3.0530 -1.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 3.9663 -0.8772 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1733 3.2577 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1827 1.9889 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2235 4.7167 -2.1829 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4397 5.6326 -1.9820 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6667 4.7715 -1.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 4.0317 -0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0129 5.5147 -2.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7455 6.3963 -3.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4191 7.3040 -3.4701 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6522 6.4024 -3.2726 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0486 -0.0060 -0.0085 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 5.0004 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1216 8.0626 -2.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7811 7.4389 -3.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 8.4173 -4.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8607 8.2809 -4.5551 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2341 9.5508 -4.3629 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4496 3.9926 -2.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2526 6.3255 -1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7681 5.7155 -4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6185 7.8848 -5.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5472 10.1273 -5.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1949 1.3284 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4806 2.4755 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 2.5567 -2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 3.6524 -1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1076 1.5336 0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 4.0274 -2.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 5.4053 -1.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4438 4.7562 0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3069 3.3416 -0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8236 4.8228 -2.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3134 6.1496 -1.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4883 5.7719 -4.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6279 6.9944 -4.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6805 4.4905 1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4089 5.6702 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 5.5772 -0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1134 7.3514 -1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 8.6495 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7281 8.7273 -2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 7.9545 -2.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 6.9693 -3.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6323 9.4400 -4.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8888 8.1451 -5.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 22 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 23 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 13 14 1 0 0 0 0 14 24 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 25 1 0 0 0 0 20 21 1 0 0 0 0 21 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 6 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 M END $$$$ prednisolone cfcorina2102109815143D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 54 57 0 0 1 0 0 0 0 0 1 V2000 -0.1771 1.0271 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4697 1.7319 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4989 3.0551 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2829 3.9170 0.2596 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0016 3.1529 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0563 1.8267 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3545 4.9525 -0.8663 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9078 5.8285 -0.8221 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1441 4.9580 -1.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2936 3.9412 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6109 5.8009 -0.6930 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6702 6.9444 -1.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 7.7694 -1.5430 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7742 6.8725 -1.9154 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1302 -0.1886 0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2465 4.6755 1.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2765 8.2143 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 7.9001 -1.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2405 9.0983 -2.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2545 8.9711 -2.4695 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7565 10.2205 -1.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 6.3563 0.6237 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9627 8.7495 -3.6908 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2213 10.5706 -1.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4465 11.7904 -1.1383 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 10.9412 -1.2065 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3996 4.4367 -1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9813 6.3194 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4883 5.1662 -0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6117 6.3934 -2.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4263 6.8853 0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8312 9.5367 -4.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3933 11.9777 -1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 1.1702 0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4636 3.5402 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 1.3304 0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 4.4231 -1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 5.5903 -1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4951 4.4453 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1165 3.2683 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7091 6.5359 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5479 7.5636 -1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1383 4.0207 2.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 5.5462 1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2538 4.9999 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0685 7.3472 0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5402 8.9307 0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2064 8.6819 0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2365 8.1900 -0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7424 7.5101 -2.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6098 10.0384 -2.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4476 9.0487 -3.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5268 10.6930 -2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8034 9.7710 -1.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 27 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 28 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 29 1 0 0 0 0 11 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 23 1 0 0 0 0 20 21 1 0 0 0 0 21 26 2 0 0 0 0 21 24 1 0 0 0 0 22 31 1 0 0 0 0 23 32 1 0 0 0 0 24 25 1 0 0 0 0 25 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 6 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 M END $$$$ cortisolacetat cfcorina2102109815143D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 61 64 0 0 1 0 0 0 0 0 1 V2000 -0.3312 1.2051 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6213 2.0010 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5398 3.0472 -1.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3345 3.9541 -0.9123 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9074 3.2420 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9152 1.9779 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0591 4.6884 -2.2303 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1660 5.5983 -2.0580 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3920 4.7323 -1.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 4.0076 -0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 5.4905 -2.6231 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0419 6.3579 -3.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1338 7.2614 -3.5477 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3298 -0.0081 -0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 5.0021 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 8.0356 -2.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6673 6.3376 -1.5338 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 3.9544 -3.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 6.3010 -1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1146 4.8016 -2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4509 6.8289 -1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3638 6.3533 -3.3594 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4998 7.3823 -3.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0876 8.3515 -4.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 8.2238 -4.6493 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0829 9.5696 -4.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 10.4430 -3.8613 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2248 7.6934 -5.9317 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4676 9.8255 -4.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8662 11.1851 -4.6698 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4623 5.6571 -4.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 8.3393 -6.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 11.6381 -5.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 10.9144 -5.6604 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4842 13.0492 -4.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4692 1.3390 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 2.4941 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4676 2.5398 -2.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4459 3.6529 -1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 1.5198 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 3.9792 -2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2819 5.3607 -1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 4.7409 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0446 3.3135 -0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8023 5.7232 -4.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9239 6.9596 -4.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5509 4.5711 1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0201 5.8625 0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7151 5.3193 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1224 7.3484 -1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 8.7972 -2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 8.5127 -2.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5468 7.9076 -2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 6.9040 -3.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3515 9.3754 -4.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5805 8.0661 -5.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 9.6896 -6.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1687 9.1257 -4.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4858 13.2343 -5.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4829 13.1851 -3.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7832 13.7490 -5.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 18 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 20 1 0 0 0 0 11 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 13 22 1 0 0 0 0 17 21 1 0 0 0 0 22 31 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 30 33 1 0 0 0 0 33 35 1 0 0 0 0 33 34 2 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 6 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 M END $$$$ 4-pregnene-3,11,20-trione cfcorina2102109815143D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 52 55 0 0 1 0 0 0 0 0 1 V2000 0.1714 1.5667 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1479 2.3132 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0913 3.2890 -0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 4.2508 -0.6674 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3399 3.6161 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3879 2.3830 0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3561 4.8945 -2.0281 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5375 5.8683 -1.8844 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7923 5.0672 -1.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6233 4.4259 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 5.6381 -2.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7268 6.6007 -3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4551 7.5025 -3.3704 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2183 0.3571 0.4962 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3212 5.3588 0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1924 8.2714 -2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9313 5.4717 -1.9834 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6891 6.6026 -3.2012 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8213 7.6372 -3.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3778 8.5980 -4.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8574 8.4713 -4.4797 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2132 9.8154 -4.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 10.6828 -3.6694 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1801 10.0771 -4.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6156 4.1175 -2.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3278 6.5832 -1.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7718 5.8944 -4.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5708 8.0712 -5.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9684 1.6098 0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2858 2.8623 1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 2.7242 -1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 3.8590 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3267 1.9810 0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9409 4.2814 -2.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6576 5.7300 -1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5763 5.2004 0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4711 3.7695 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5377 6.0465 -4.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6345 7.1956 -3.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 4.9209 1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 6.0629 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1984 5.8819 -0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 7.5694 -1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0878 8.8255 -1.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6329 8.9672 -2.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 8.1688 -2.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7698 7.1604 -3.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6451 9.6241 -4.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8483 8.3090 -5.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4747 11.0955 -4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 9.9517 -5.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8739 9.3732 -4.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 25 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 26 1 0 0 0 0 8 18 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 17 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 18 1 0 0 0 0 18 27 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 6 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 M END $$$$ epicorticosterone cfcorina2102109815143D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 55 58 0 0 1 0 0 0 0 0 1 V2000 0.1064 0.8301 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 1.6164 -0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 2.7560 -1.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0692 3.6476 -1.0356 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3271 2.9030 -0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3514 1.6057 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 4.4949 -2.2945 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5241 5.3888 -2.0924 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7604 4.5025 -1.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 3.6674 -0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9593 5.3258 -2.5650 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7544 6.3000 -3.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4346 7.1742 -3.3867 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6703 6.2557 -3.3294 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1072 -0.3790 -0.4737 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2325 4.5983 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0432 4.4480 -2.8757 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8065 7.2838 -3.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 8.3498 -4.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8229 8.2312 -4.4153 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1840 9.5524 -4.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7941 10.3681 -3.4245 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2162 9.8558 -4.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5956 11.1591 -4.0937 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2157 7.8306 -2.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4682 3.8324 -3.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 6.0167 -1.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2086 5.8945 -1.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7342 5.6359 -4.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8159 5.0055 -3.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 7.9137 -5.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4953 11.3131 -4.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0356 0.9699 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2504 2.0227 0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1098 2.3348 -2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 3.3558 -1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2894 1.1247 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8429 3.8203 -2.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6519 5.1274 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6544 4.3277 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4693 2.9648 -0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5503 5.7436 -4.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 6.9169 -3.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4295 4.0193 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6243 5.2510 0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 5.2017 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 7.7222 -2.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7492 6.8297 -3.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6251 9.3466 -3.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8049 8.1497 -5.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2516 9.8203 -5.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 9.1165 -4.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 7.0606 -1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 8.3919 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6373 8.5070 -2.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 26 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 27 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 28 1 0 0 0 0 11 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 25 1 0 0 0 0 13 20 1 0 0 0 0 13 14 1 0 0 0 0 14 29 1 0 0 0 0 14 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 31 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 6 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 M END $$$$ 19-nortestosterone cfcorina2102109815143D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 46 49 0 0 1 0 0 0 0 0 1 V2000 -0.0614 1.2071 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3569 1.9943 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2646 3.0534 -1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0684 3.9663 -0.8776 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1713 3.2572 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1802 1.9884 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2223 4.7167 -2.1831 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4388 5.6321 -1.9820 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6655 4.7706 -1.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4762 4.0308 -0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0137 5.5152 -2.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 6.3967 -3.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4191 7.3040 -3.4701 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6518 6.4019 -3.2724 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0519 -0.0061 -0.0092 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1216 8.0626 -2.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7811 7.4380 -3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 8.4167 -4.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 8.2809 -4.5549 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2351 9.5509 -4.3627 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4483 3.9925 -2.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2517 6.3251 -1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7677 5.7151 -4.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6192 7.8849 -5.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5485 10.1274 -5.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3309 4.7030 -0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1977 1.3290 -0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4832 2.4758 0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1744 2.5571 -2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 3.6531 -1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 1.5327 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7977 4.0264 -2.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5508 5.4040 -1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4421 4.7552 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3049 3.3403 -0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8246 4.8235 -2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3142 6.1500 -1.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4886 5.7723 -4.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6279 6.9952 -4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1134 7.3514 -1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 8.6495 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7281 8.7273 -2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 7.9535 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7406 6.9681 -3.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6332 9.4393 -4.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8895 8.1444 -5.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 26 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 21 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 22 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 14 1 0 0 0 0 14 23 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 24 1 0 0 0 0 19 20 1 0 0 0 0 20 25 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 6 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 M END $$$$ 16a,17a-dihydroxyprogesterone cfcorina2102109815143D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 55 58 0 0 1 0 0 0 0 0 1 V2000 -0.0420 1.0411 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 1.8488 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2441 2.9445 -1.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 3.8291 -0.9261 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2136 3.0835 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2129 1.8005 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2385 4.6211 -2.2126 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4779 5.5066 -2.0172 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6973 4.6126 -1.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5337 3.8318 -0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 5.4559 -2.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 6.3777 -3.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4449 7.2508 -3.4097 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6659 6.3200 -3.2846 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0548 -0.1711 -0.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3435 4.8304 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2018 7.9646 -2.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8144 7.3349 -3.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3978 8.3642 -4.3402 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8729 8.2602 -4.4696 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2437 9.6022 -4.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8451 10.4327 -3.5592 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1361 9.9077 -4.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5082 7.7964 -5.7711 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0232 8.0446 -5.5847 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4264 3.9220 -3.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 6.1720 -1.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7434 5.6633 -4.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6776 9.3706 -4.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8011 8.4699 -6.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9777 8.1010 -5.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1802 1.2052 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4104 2.2979 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 2.4812 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 3.5588 -1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1387 1.3180 0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7902 3.8944 -2.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 5.2276 -1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5379 4.5278 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3537 3.1217 -0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8243 4.7877 -2.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2571 6.0645 -1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5274 5.7811 -4.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6238 6.9997 -3.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5698 4.2916 1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5174 5.4793 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2041 5.4337 -0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 7.2267 -1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0864 8.5414 -1.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6528 8.6341 -2.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 7.8118 -2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7582 6.8572 -3.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8482 9.1940 -4.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 10.9178 -4.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1371 9.8324 -5.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 26 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 27 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 13 14 1 0 0 0 0 14 28 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 29 1 0 0 0 0 19 25 1 0 0 0 0 19 20 1 0 0 0 0 20 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 6 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 M END $$$$ 16a-methylprogesterone cfcorina2102109815143D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 56 59 0 0 1 0 0 0 0 0 1 V2000 0.1048 0.8434 -0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1832 1.6294 -0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 2.7665 -1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 3.6596 -1.0280 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3247 2.9166 -0.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 1.6199 -0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 4.5046 -2.2881 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5236 5.3988 -2.0860 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7597 4.5129 -1.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6355 3.6811 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9589 5.3347 -2.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7512 6.3060 -3.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4365 7.1814 -3.3855 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6720 6.2634 -3.3245 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1066 -0.3660 -0.4558 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2377 4.6124 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2149 7.8394 -2.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8077 7.2920 -3.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 8.3570 -4.3153 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8270 8.2371 -4.4144 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1869 9.5587 -4.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 10.3753 -3.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2123 9.8611 -4.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9961 8.0762 -5.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4697 3.8403 -3.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3863 6.0285 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 5.6420 -4.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 9.3542 -3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5306 7.9184 -5.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 0.9820 -0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 2.0384 0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 2.3427 -2.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0488 3.3658 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2873 1.1398 -0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8432 3.8283 -2.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6512 5.1378 -1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 4.3440 0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4668 2.9787 -0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7856 4.6645 -2.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 5.9055 -1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5447 5.7474 -4.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6403 6.9223 -3.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4358 4.0351 1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6182 5.2663 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1124 5.2145 -0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0196 7.0703 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 8.4015 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6383 8.5154 -2.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8916 7.7314 -2.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7512 6.8380 -3.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 9.8243 -5.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9011 9.1222 -4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5027 10.8555 -4.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0806 8.1373 -5.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7155 7.0777 -6.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6505 8.8134 -6.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 25 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 26 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 13 14 1 0 0 0 0 14 27 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 28 1 0 0 0 0 19 24 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 6 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 M END $$$$ 19-norprogesterone cfcorina2102109815143D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 50 53 0 0 1 0 0 0 0 0 1 V2000 0.1090 0.8122 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1771 1.5993 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1401 2.7424 -1.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0729 3.6325 -1.0450 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3310 2.8857 -0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3544 1.5872 -0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2936 4.4838 -2.3015 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5267 5.3764 -2.0992 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7627 4.4889 -1.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6424 3.6490 -0.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9574 5.3158 -2.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 6.2918 -3.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4359 7.1649 -3.3879 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6710 6.2461 -3.3345 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1086 -0.3966 -0.4976 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2195 7.8187 -2.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 7.2733 -3.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 8.3409 -4.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 8.2239 -4.4155 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1852 9.5449 -4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7975 10.3588 -3.4202 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 9.8502 -4.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1397 4.3071 -0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4685 3.8237 -3.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3926 6.0023 -1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 5.6280 -4.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 7.9087 -5.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0329 0.9545 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2435 2.0023 0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1096 2.3245 -2.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0437 3.3424 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2925 1.1044 -0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8436 3.8094 -2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6546 5.1131 -1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6609 4.3063 0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4734 2.9456 -0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 4.6471 -2.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 5.8831 -1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5515 5.7369 -4.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6431 6.9093 -3.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 7.0472 -1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1113 8.3794 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 8.4952 -2.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 7.7105 -2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7496 6.8191 -3.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6262 9.3372 -3.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8025 8.1417 -5.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 10.8437 -4.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 9.8170 -5.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 9.1105 -4.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 23 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 24 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 25 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 14 1 0 0 0 0 14 26 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 27 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 6 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 M END $$$$ 2a-methylcortisol cfcorina2102109815143D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 59 62 0 0 1 0 0 0 0 0 1 V2000 -0.3348 1.2046 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6245 2.0009 0.0230 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5416 3.0478 -1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 3.9537 -0.9130 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9056 3.2408 -0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9122 1.9765 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0595 4.6882 -2.2307 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1660 5.5974 -2.0572 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3915 4.7307 -1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2164 4.0057 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 5.4911 -2.6235 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0412 6.3591 -3.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 7.2618 -3.5466 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3341 -0.0087 -0.0029 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 5.0017 0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 8.0358 -2.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 6.3378 -1.5338 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 6.3528 -3.3583 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5014 7.3810 -3.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 8.3506 -4.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 8.2241 -4.6481 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0808 9.5702 -4.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5096 10.4433 -3.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2265 7.6940 -5.9307 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4654 9.8266 -4.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 11.1648 -4.6736 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8151 1.0722 -0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7331 2.4936 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 3.9544 -3.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 6.2998 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1148 4.8028 -2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 6.8296 -1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4628 5.6569 -4.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 8.3399 -6.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7462 11.2871 -5.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4694 2.5408 -2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4472 3.6541 -1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8382 1.5176 0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 3.9780 -2.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 5.3587 -1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 4.7384 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0426 3.3110 -0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8016 5.7247 -4.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9227 6.9613 -4.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 4.5706 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 5.8619 0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7159 5.3193 0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 7.3484 -1.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6306 8.7971 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1154 8.5133 -2.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5485 7.9062 -2.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 6.9020 -3.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3545 9.3743 -4.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 8.0651 -5.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 9.6908 -6.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 9.1270 -4.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8462 0.3075 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7384 1.6511 -0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 0.5965 -1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 28 1 0 0 0 0 2 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 29 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 30 1 0 0 0 0 8 18 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 31 1 0 0 0 0 11 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 24 34 1 0 0 0 0 25 26 1 0 0 0 0 26 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 6 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END $$$$ 2a-methyl-9a-fluoro-cortisol cfcorina2102109815143D 1 1.00000 0.00000 Copyright Ak Gasteiger, University of Erlangen-Nuernberg, Germany 59 62 0 0 1 0 0 0 0 0 1 V2000 -0.3348 1.2046 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6245 2.0009 0.0230 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5416 3.0478 -1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 3.9537 -0.9130 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9056 3.2408 -0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9122 1.9765 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0595 4.6882 -2.2307 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1660 5.5974 -2.0572 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3915 4.7307 -1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2164 4.0057 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 5.4911 -2.6235 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0412 6.3591 -3.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 7.2618 -3.5466 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3341 -0.0087 -0.0029 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 5.0017 0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1376 8.0358 -2.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 6.3378 -1.5338 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 6.3528 -3.3583 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5014 7.3810 -3.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 8.3506 -4.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 8.2241 -4.6481 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0808 9.5702 -4.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5096 10.4433 -3.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2265 7.6940 -5.9307 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4654 9.8266 -4.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 11.1648 -4.6736 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8151 1.0722 -0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 3.7464 -3.2298 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 2.4936 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 6.2998 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1148 4.8028 -2.8330 H 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 2.3545 9.3743 -4.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 8.0651 -5.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 9.6908 -6.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 9.1270 -4.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8462 0.3075 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7384 1.6511 -0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 0.5964 -1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 29 1 0 0 0 0 2 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 7 28 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 30 1 0 0 0 0 8 18 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 31 1 0 0 0 0 11 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 24 34 1 0 0 0 0 25 26 1 0 0 0 0 26 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 6 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END $$$$