HMDB0251256 RDKit 3D Difenoxin 60 63 0 0 0 0 0 0 0 0999 V2000 -1.4296 -1.0979 2.4038 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.7962 1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 -0.4283 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6624 -0.5683 -0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4754 0.3079 -0.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3062 0.0136 0.3351 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1716 1.1350 0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 1.1962 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 -0.0596 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -0.0912 1.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8919 -1.1326 2.2677 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6769 0.9450 2.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5663 0.0290 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0072 -0.7645 -1.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2794 -0.6681 -1.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1541 0.2445 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7407 1.0459 -0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 0.9373 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 -1.1962 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0289 -1.2278 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7612 -1.3475 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5784 -2.6523 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 -3.5818 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7657 -3.2180 -0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9595 -1.9392 -0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9539 -1.0232 -0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0484 1.0081 0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1119 1.5976 1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 2.9325 1.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7618 3.6882 0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7003 3.1037 -0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3519 1.7897 -0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1949 -0.4147 -1.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3686 -1.6300 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1157 0.2922 -1.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8205 1.3847 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3976 1.1399 1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 2.0530 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9709 2.1067 -0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0974 1.0227 -1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0186 0.8430 3.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 -1.4738 -1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 -1.3271 -2.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1749 0.3176 -1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4397 1.7612 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2199 1.6164 0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2771 -1.0578 -1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8634 -2.1886 -0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 -1.9148 -0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9896 -1.7701 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6463 -2.9379 0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4492 -4.5912 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5872 -3.9334 -0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8683 -1.5962 -1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0822 -0.0274 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8752 1.0153 2.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4953 3.3596 2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0358 4.7104 0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9464 3.7286 -1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2987 1.3305 -1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 9 19 1 0 19 20 1 0 3 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 3 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 20 6 1 0 26 21 1 0 32 27 1 0 18 13 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 12 41 1 0 14 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 22 51 1 0 23 52 1 0 24 53 1 0 25 54 1 0 26 55 1 0 28 56 1 0 29 57 1 0 30 58 1 0 31 59 1 0 32 60 1 0 M END