HMDB0035022 RDKit 3D Prulaurasin 38 39 0 0 0 0 0 0 0 0999 V2000 2.4852 2.2647 2.8226 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1057 1.4152 2.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6123 0.3156 1.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 0.8947 0.3462 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5441 0.4385 0.4356 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9651 -0.2252 -0.6898 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2276 -0.7573 -0.4378 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5918 -1.8119 -1.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 -2.3502 -1.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2894 0.3269 -0.4026 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1781 0.1509 0.6517 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5538 1.6633 -0.2816 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9129 1.8837 -1.4838 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5073 1.5255 0.8067 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0836 1.3180 2.0476 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 -0.2559 0.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3288 -1.5086 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 -2.0331 0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1172 -1.2858 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -0.0351 -0.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5141 0.4790 -0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1305 -0.4098 1.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -0.3086 1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1909 -1.2221 0.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8548 -2.6265 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5965 -1.2944 -2.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5775 -1.6973 -1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8949 0.3553 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3513 0.9915 1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 2.4589 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5058 1.9209 -2.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9835 2.5216 0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4383 1.6158 2.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8133 -2.1112 1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8387 -3.0117 0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0206 -1.6515 -1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1297 0.5947 -1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 1.4616 -0.5691 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 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 3 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 14 5 1 0 21 16 1 0 3 22 1 0 5 23 1 1 7 24 1 1 8 25 1 0 8 26 1 0 9 27 1 0 10 28 1 6 11 29 1 0 12 30 1 1 13 31 1 0 14 32 1 1 15 33 1 0 17 34 1 0 18 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 M END