HMDB0060950 RDKit 3D fluvoxamino acid 39 39 0 0 0 0 0 0 0 0999 V2000 -3.2861 4.1755 -0.1201 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7304 3.1553 0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 1.8116 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0234 0.9715 1.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 0.4934 0.6478 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 -0.2320 0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5394 -1.3483 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -1.6971 -0.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0874 -3.1879 -1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9901 -3.9477 0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -4.0738 0.5847 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9092 -4.4415 0.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3056 -0.0006 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8096 0.5869 1.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1481 0.9096 1.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0118 0.6474 0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 1.0001 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0821 0.4092 1.5617 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5914 2.3697 0.5043 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0668 0.5409 -0.6446 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5157 0.0573 -0.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1863 -0.2597 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9415 3.8777 -0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5583 4.9961 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0637 3.1445 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 3.3953 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7354 1.4420 -0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1103 1.7964 -0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1475 -2.1719 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2361 -0.8975 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5395 -1.6192 0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4701 -1.0978 -1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8318 -3.4782 -1.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -3.4174 -1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2715 -5.1698 0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1496 0.7672 2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5426 1.3819 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1285 -0.1904 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 -0.6986 -1.6344 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 1 0 5 6 2 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 6 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 16 21 1 0 21 22 2 0 22 13 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 12 35 1 0 14 36 1 0 15 37 1 0 21 38 1 0 22 39 1 0 M END