HMDB0030340 RDKit 3D Piperolein B 54 56 0 0 0 0 0 0 0 0999 V2000 -4.9919 -1.8474 -1.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5249 -1.1302 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0604 -1.1201 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3755 -2.0269 -0.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -2.0472 -0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3319 -0.6669 -0.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -0.6842 -0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 0.7381 -0.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1262 0.8677 -0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -0.1564 -0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3368 -0.0485 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0564 -1.1950 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4232 -1.1974 0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1451 -0.0348 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4612 1.1195 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0723 1.1023 -0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4183 2.1228 -0.2921 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6018 1.7004 0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5080 0.2845 0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3801 -0.3524 0.6075 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 0.5073 1.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9719 1.5825 1.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4410 2.0781 0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1897 1.0167 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8255 -0.3631 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8702 -1.4287 1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7195 -0.0727 -0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6409 -1.6849 -1.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7271 -3.0772 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3818 -2.7555 -1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6441 -2.4588 0.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7389 0.0765 -0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5419 -0.3356 -1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3365 -1.0179 0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6791 -1.4052 -1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1819 1.3550 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 1.1216 -1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 1.8323 -0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4354 -1.1267 -0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 -2.1403 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9691 -2.1058 0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5688 2.0113 -0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5064 2.1193 -0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4714 1.9237 1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 0.9519 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8087 -0.1154 2.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5316 2.3993 2.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7885 1.0934 2.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 2.3898 0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0563 2.9915 0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8483 1.0157 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2777 1.1820 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3490 -0.4982 1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1344 -1.1647 -0.2885 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 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 2 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 16 11 1 0 25 20 1 0 19 14 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 12 40 1 0 13 41 1 0 16 42 1 0 18 43 1 0 18 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 24 51 1 0 24 52 1 0 25 53 1 0 25 54 1 0 M END