HMDB0301841 RDKit 3D Phaseolotoxin 66 65 0 0 0 0 0 0 0 0999 V2000 2.6396 0.5648 -3.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 -0.1706 -2.7842 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4119 0.8397 -2.6582 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7231 0.7524 -3.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -0.1427 -4.3607 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7917 1.7699 -3.3796 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7551 1.5350 -4.4348 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5065 1.6097 -2.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0739 0.2076 -2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8145 -0.2150 -0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9581 0.5400 -0.4956 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7565 -0.0258 0.9268 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.9139 0.9300 1.3757 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3997 -1.6226 0.6269 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6105 -0.0938 2.2487 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 0.2699 3.7593 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.3899 0.9785 4.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4979 1.2181 3.5197 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9814 -1.0835 4.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8341 -0.6193 -1.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 -0.0861 -0.4032 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7837 -1.6381 -1.3089 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 -2.2097 -0.1028 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2414 -1.1922 1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 -0.0036 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 1.0961 1.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 0.5761 2.9377 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 0.9847 3.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4413 1.9477 2.6656 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1998 0.4718 4.6031 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6911 -3.4826 0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 -3.9373 -0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 -4.2180 1.2971 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 -0.0349 -3.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4818 0.6266 -4.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7065 1.6020 -3.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1816 -0.9917 -3.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5668 1.5759 -1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3644 2.7734 -3.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6731 2.2026 -5.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6499 0.5477 -4.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3223 2.3591 -2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8566 1.8091 -1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -0.4928 -2.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6785 0.1469 -2.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -0.2561 0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1334 -1.2828 -1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9334 1.5516 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1596 1.7250 0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0856 -1.6410 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6601 -2.3350 0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0425 -0.9445 2.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3612 -1.7121 3.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 -2.0875 -2.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4629 -2.2912 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2413 -0.9589 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8198 -1.7177 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1614 -0.3569 0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 0.4257 -0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6591 1.9510 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9923 1.3942 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3398 2.9722 2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 1.6107 1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5833 0.4637 5.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1816 0.0984 4.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9447 -4.2837 1.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 12 14 1 0 12 15 1 0 15 16 1 0 16 17 2 0 16 18 2 0 16 19 1 0 2 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 3 28 29 1 0 28 30 1 0 23 31 1 0 31 32 2 0 31 33 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 6 3 38 1 0 6 39 1 6 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 0 19 53 1 0 22 54 1 0 23 55 1 6 24 56 1 0 24 57 1 0 25 58 1 0 25 59 1 0 26 60 1 0 26 61 1 0 29 62 1 0 29 63 1 0 30 64 1 0 30 65 1 0 33 66 1 0 M END