HMDB0015191 RDKit 3D Praziquantel 47 50 0 0 0 0 0 0 0 0999 V2000 2.0392 0.2567 -2.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5111 0.0623 -1.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2862 0.4892 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4654 1.2539 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7451 1.0714 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 -0.4170 0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9251 -0.8707 1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5687 -0.7314 0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2361 -0.5426 -1.4435 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3769 -0.9098 -2.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8059 -0.4763 -2.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3733 -0.3342 -3.8185 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4423 -0.2480 -1.4456 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 0.6361 -1.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5028 0.3492 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7398 0.1033 0.9423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3162 0.5003 2.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6502 0.3041 3.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3997 -0.2943 3.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -0.6922 2.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5138 -0.4820 0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8816 -0.9188 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3864 -0.7524 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 1.1765 0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 2.3575 -0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6635 1.0688 -1.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7808 1.5389 0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5705 1.4354 -0.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 -0.4949 0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 -0.9673 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0397 -0.2785 2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 -1.9349 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8585 -0.7456 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3435 -1.6725 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.3341 -3.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 -1.9971 -2.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3074 1.7080 -1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1621 0.4020 -2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 1.2661 -0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2187 -0.4580 -0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2925 0.9670 2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0316 0.5842 4.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8565 -0.4593 4.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8493 -1.1559 2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0667 -2.0139 -0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 0.1244 0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -1.6795 0.2915 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 5 6 1 0 6 7 1 0 7 8 1 0 2 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 8 3 1 0 23 9 1 0 22 13 1 0 21 16 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 10 35 1 0 10 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 22 45 1 0 23 46 1 0 23 47 1 0 M END