HMDB0015576 RDKit 3D Thiotepa 23 25 0 0 0 0 0 0 0 0999 V2000 0.5847 -0.1386 -1.9096 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0504 0.0640 -0.2887 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1269 -0.7980 0.8006 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5137 -0.4221 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0656 -1.7404 0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1759 1.7645 0.1124 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9897 2.5906 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 2.6775 -0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5819 -0.4758 -0.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9865 -1.2417 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -1.8778 -0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0157 -0.1992 1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8048 0.2916 -0.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -1.9326 -0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3435 -2.6449 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0575 3.4770 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 2.1017 -0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 2.2664 -2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8055 3.5816 -0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2325 -1.4977 1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0062 -1.0352 1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0062 -2.5987 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7952 -2.2122 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 2 6 1 0 6 7 1 0 7 8 1 0 2 9 1 0 9 10 1 0 10 11 1 0 5 3 1 0 8 6 1 0 11 9 1 0 4 12 1 0 4 13 1 0 5 14 1 0 5 15 1 0 7 16 1 0 7 17 1 0 8 18 1 0 8 19 1 0 10 20 1 0 10 21 1 0 11 22 1 0 11 23 1 0 M END