HMDB0029369 RDKit 3D Neosaxitoxin 39 41 0 0 0 0 0 0 0 0999 V2000 -0.4151 1.5687 -3.2498 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 0.8821 -2.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4022 -0.2914 -2.0169 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7588 -0.9886 -3.1157 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8447 -0.7718 -0.7313 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3217 -0.4129 -0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8639 -0.8400 0.5943 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2065 -0.5835 0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -0.9500 2.0069 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 0.0155 -0.0562 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0679 -0.2867 0.4400 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4416 -1.4786 1.1466 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5513 -1.8896 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9877 -3.2403 0.2604 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0185 -0.8561 -0.3003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2808 0.3204 0.0495 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1454 1.2672 -1.0165 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8581 2.4770 -0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9839 2.4344 0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9117 0.9931 1.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 0.7593 2.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 0.5269 1.3314 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9809 2.4243 -3.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1776 -0.8306 -3.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8464 -1.9018 -0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9033 -0.8764 -1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4838 0.6885 -0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4723 -1.8033 2.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7946 -0.3854 2.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6268 0.3718 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -1.9107 2.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6534 -3.5629 0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6825 -3.9196 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2839 3.3993 -0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8352 2.5643 -1.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0961 2.9442 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8866 2.9368 1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 0.1887 3.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7712 1.0176 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 5 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 16 15 1 6 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 17 2 1 0 16 11 1 0 20 16 1 0 1 23 1 0 4 24 1 0 5 25 1 6 6 26 1 0 6 27 1 0 9 28 1 0 9 29 1 0 11 30 1 1 12 31 1 0 14 32 1 0 14 33 1 0 18 34 1 0 18 35 1 0 19 36 1 0 19 37 1 0 21 38 1 0 22 39 1 0 M END