HMDB0258744 RDKit 3D Taurolidine 33 34 0 0 0 0 0 0 0 0999 V2000 4.8740 0.9249 0.2621 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 0.4091 -0.5430 S 0 0 0 0 0 6 0 0 0 0 0 0 4.2650 -0.2128 -1.7904 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8188 -0.8505 0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7198 -0.2913 1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9466 0.7296 0.5569 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 0.2636 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.6135 0.2786 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6464 -0.0321 1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1323 -0.1881 1.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -0.0100 -0.3985 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.1163 -0.2747 -0.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3848 1.3930 -0.8229 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7052 -1.1612 -1.2644 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5498 -1.5878 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 1.8829 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 1.6681 -0.9313 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5701 -1.3449 1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4389 -1.6505 -0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0298 -1.1335 1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1197 0.0570 2.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5294 1.1364 -0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 -0.3139 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2598 -0.4111 2.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4395 1.0787 1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4414 -1.1680 1.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 0.6564 1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4973 -0.8591 -2.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8537 -2.4492 0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8082 -1.9771 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 2.2467 1.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9697 2.6777 -0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0477 1.4050 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 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 1 0 11 12 2 0 11 13 2 0 11 14 1 0 14 15 1 0 6 16 1 0 16 17 1 0 17 2 1 0 15 8 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 7 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 14 28 1 0 15 29 1 0 15 30 1 0 16 31 1 0 16 32 1 0 17 33 1 0 M END