HMDB0034660 RDKit 3D Heterophyllin 69 72 0 0 0 0 0 0 0 0999 V2000 -5.3736 -2.8385 -1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8622 -1.4405 -1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2277 -0.7165 -2.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0994 -0.8403 -0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5683 0.5604 -0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1016 0.4607 -0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4565 0.1784 0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0661 -0.0225 1.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1755 0.5865 2.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 0.2816 3.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9177 0.9370 4.0513 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 -0.6878 4.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7588 -1.0393 5.6456 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0813 -1.3150 3.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -1.0114 2.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3703 -1.6485 2.2649 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 0.0575 0.5191 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5706 0.1938 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9388 0.0484 -0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6453 -0.1795 0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8836 1.0537 1.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5118 1.2307 2.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 2.5668 3.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8186 0.2628 3.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7402 0.1713 -1.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1111 0.4528 -2.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 0.6149 -2.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1848 0.8957 -4.1566 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0543 0.4863 -1.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4118 0.6202 -1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 0.8810 -2.8341 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 0.5532 -4.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2325 0.3748 -3.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9378 0.0719 -2.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 1.1192 -2.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6707 -1.2660 -2.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1161 0.0136 -1.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4754 -2.8000 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0252 -3.2457 -0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0731 -3.4864 -2.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3335 -0.5344 -3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0042 -1.2971 -3.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7115 0.2625 -2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8589 -1.4080 0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0707 1.2947 -0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8352 0.7967 -1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6607 1.3937 1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3096 1.6447 3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5993 -0.5391 5.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6539 -2.0793 4.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0329 -2.3655 2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1136 -0.9183 1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 -0.6556 0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4137 1.8734 0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8285 2.5092 4.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0972 3.3245 3.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8686 2.7942 3.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9978 -0.7835 3.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1622 0.4024 4.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7207 0.5325 3.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7216 1.0417 -4.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4738 0.7797 -4.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8017 0.4680 -4.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5146 1.0700 -1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8028 0.8689 -3.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6759 2.1399 -2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 -2.0293 -3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9951 -1.5036 -1.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5526 -1.2182 -3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 7 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 2 3 22 23 1 0 22 24 1 0 19 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 27 29 2 0 29 30 1 0 30 31 2 0 26 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 30 6 1 0 15 8 1 0 29 18 1 0 37 25 1 0 1 38 1 0 1 39 1 0 1 40 1 0 3 41 1 0 3 42 1 0 3 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 9 47 1 0 11 48 1 0 13 49 1 0 14 50 1 0 16 51 1 0 20 52 1 0 20 53 1 0 21 54 1 0 23 55 1 0 23 56 1 0 23 57 1 0 24 58 1 0 24 59 1 0 24 60 1 0 28 61 1 0 32 62 1 0 33 63 1 0 35 64 1 0 35 65 1 0 35 66 1 0 36 67 1 0 36 68 1 0 36 69 1 0 M END