HMDB0304120 RDKit 3D 3-dehydro-6-deoxoteasterone 79 82 0 0 0 0 0 0 0 0999 V2000 -7.3460 -0.9476 0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8858 0.4375 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9952 0.7023 -1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4951 0.7472 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3889 0.6049 2.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4636 -0.0650 -0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6573 -1.4351 -0.0522 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 0.3683 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8278 0.0414 1.4369 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -0.0279 -0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 0.6782 -2.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6606 0.2875 -0.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3816 1.7664 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3331 1.8411 0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0462 0.4983 0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 0.6082 0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8345 1.4436 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3329 1.5509 -0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0911 0.7532 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5614 0.9234 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3272 -0.0997 0.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3002 0.2146 1.3758 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9031 -1.5114 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4422 -1.6152 1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6102 -0.6742 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 -1.1309 -1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 -0.7252 0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -1.8062 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 -1.3791 -0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2276 -0.5043 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -1.4498 1.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4690 -0.9508 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9703 -1.6517 -0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1559 -1.2483 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5784 1.1493 0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0538 0.8842 -1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4410 1.6520 -1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5367 -0.1454 -1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2946 1.8130 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4075 -0.4341 2.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5586 1.2102 2.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3255 1.0758 2.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6399 0.1582 -1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7942 -1.7150 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1084 1.5083 0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 -0.8465 1.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1735 -1.1196 -1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1475 1.5846 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2336 -0.0063 -2.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6924 0.9006 -2.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2335 0.1359 -1.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2957 2.2090 -1.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2763 2.3823 -0.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 1.9349 1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9826 2.7042 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9956 0.2769 2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 1.1865 1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 1.1431 -1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4924 2.4975 -0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6629 1.1596 -1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7174 2.5884 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 1.1098 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7961 0.9928 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8272 1.9453 0.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0823 -1.8828 -0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4599 -2.1138 1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3008 -1.4086 2.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1136 -2.6460 0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0539 -0.7876 -1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0361 -2.2350 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7802 -0.6717 -1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1944 -1.0346 1.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0512 -2.2077 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2004 -2.6995 0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2553 -0.9353 -1.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5322 -2.3144 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 -2.2430 1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -2.0248 0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4689 -0.9751 2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 12 1 0 30 15 1 0 27 16 1 0 25 19 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 9 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 16 57 1 0 17 58 1 0 17 59 1 0 18 60 1 0 18 61 1 0 19 62 1 0 20 63 1 0 20 64 1 0 23 65 1 0 23 66 1 0 24 67 1 0 24 68 1 0 26 69 1 0 26 70 1 0 26 71 1 0 27 72 1 0 28 73 1 0 28 74 1 0 29 75 1 0 29 76 1 0 31 77 1 0 31 78 1 0 31 79 1 0 M END