HMDB0243543 RDKit 3D (+)-Pentazocine 48 50 0 0 0 0 0 0 0 0999 V2000 4.8184 0.0074 -0.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2594 0.3658 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 1.2788 1.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0825 -0.0895 0.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -0.9695 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0249 -0.5423 -0.4104 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 -1.4468 -1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -1.3996 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7801 -0.9118 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 -1.9284 0.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 0.3368 -0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8818 0.3474 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5402 1.5258 -0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9217 1.5633 -0.8888 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7647 2.6675 -0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3957 2.6560 -0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7477 1.4609 -0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2644 1.4529 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 0.3049 0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8166 -0.5283 1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2244 -1.6651 1.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9361 -1.1039 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7629 0.5284 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0556 0.3499 -1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2869 2.1779 0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 0.7548 1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6198 1.4882 2.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7727 0.2311 1.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8985 -1.1708 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1717 -1.9550 0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -1.2675 -2.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 -2.4945 -1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5104 -2.4522 -1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5109 -0.8459 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 -1.4285 1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3156 -2.3687 -0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2354 -2.7707 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4956 -0.5443 -0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3552 2.4440 -1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3206 3.5844 -1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8347 3.5708 -0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 2.4022 0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 1.5139 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8879 0.6715 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3632 0.1161 1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7214 -1.3487 2.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8772 -2.0102 2.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 -2.5586 1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 6 1 0 20 9 1 0 17 11 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 5 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 10 37 1 0 12 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 M END