HMDB0015690 RDKit 3D Chloropyramine 40 41 0 0 0 0 0 0 0 0999 V2000 -2.7816 -2.3732 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5049 -1.8518 0.0336 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7777 -1.5540 0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7468 -0.6519 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3324 -0.8497 -0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3802 0.4116 -0.5747 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7276 0.5740 -0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -0.1651 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2805 -1.3613 -0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2256 -2.0203 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6372 -1.4720 1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8351 -2.2722 2.3237 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1015 -0.2883 1.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1536 0.3615 0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3295 1.5661 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0413 2.2784 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7222 3.4103 -0.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 3.7618 0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9306 3.0103 1.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2839 1.9298 1.1101 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 -1.5779 -2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6886 -3.0167 -1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9233 -3.0036 -1.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5669 -2.3048 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6847 -1.5600 1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1763 -0.5782 0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 -0.1890 0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2536 0.0308 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4337 -1.1768 -1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2117 -1.6205 0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8399 0.2966 -2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 1.6469 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9911 -1.8305 -1.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6733 -2.9587 -0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4219 0.1437 2.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7719 1.3003 1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0829 1.9918 -2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 3.9959 -1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2082 4.6555 0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 3.3109 2.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 6 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 14 8 1 0 20 15 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 7 31 1 0 7 32 1 0 9 33 1 0 10 34 1 0 13 35 1 0 14 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 M END