HMDB0041906 RDKit 3D Ibopamine 47 47 0 0 0 0 0 0 0 0999 V2000 6.3585 2.5951 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 1.9948 1.1403 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3768 1.3197 0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5519 0.7231 1.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3639 0.0104 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4955 -1.3343 0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4035 -2.0074 0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1655 -1.4096 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9188 -2.1340 -0.3461 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8214 -2.7974 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -2.7251 1.7082 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9765 -3.5695 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7553 -4.1633 1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8349 -2.7462 -0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0482 -0.0635 0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1727 0.5668 0.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4808 1.1699 -0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5918 1.1017 -1.8548 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7601 1.8507 -1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0043 3.0106 -0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 2.3444 -2.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 0.6386 0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7907 3.3834 -0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7586 1.8183 -0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1857 3.1013 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2495 2.7428 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7965 0.5507 -0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 2.0078 -0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 1.5929 2.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1463 0.1118 2.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4549 -1.8160 0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5183 -3.0591 0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5558 -4.4002 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 -5.2733 0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7513 -3.6698 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1554 -4.0699 2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9018 -3.0434 -0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4726 -2.8113 -2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6982 -1.6856 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6337 1.1612 -1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5232 3.8346 -0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0508 3.3837 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6809 2.7401 0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5467 3.1356 -2.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9889 1.5012 -3.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7585 2.7049 -2.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0506 1.6829 1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 12 14 1 0 8 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 19 21 1 0 15 22 2 0 22 5 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 6 31 1 0 7 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 14 39 1 0 19 40 1 0 20 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 M END