HMDB0256104 RDKit 3D Pamatolol 48 48 0 0 0 0 0 0 0 0999 V2000 8.5915 1.4460 -1.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7623 0.5976 -0.6452 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3628 0.7039 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 1.6032 -1.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 -0.2128 0.1441 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1968 -0.1443 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 -1.2437 1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2215 -1.1547 1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -0.3602 2.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2088 -0.2982 2.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5795 -1.0372 1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9094 -0.9161 1.2629 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 -1.4578 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9987 -1.0396 -0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0751 -1.6507 -1.4805 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9099 0.4450 -0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8539 1.2139 -0.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1481 1.4273 -0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0930 0.2889 -0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7053 2.6049 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0555 -1.8312 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4585 -1.8862 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2699 2.4954 -1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6338 1.2882 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5531 1.1139 -2.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1274 -0.9379 0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8511 0.8522 0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7959 -0.2798 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1211 -1.1468 2.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9927 -2.2331 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1861 0.2155 2.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2881 0.3329 2.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8885 -1.1529 1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 -2.5821 0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1038 -1.3981 -1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -2.4796 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8638 0.7629 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7532 0.7698 -2.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5719 1.7384 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1855 1.9245 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1725 -0.1713 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8701 -0.4664 -0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1667 0.6612 -0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6584 2.9484 -0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7227 2.2266 1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9123 3.3783 0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4587 -2.4572 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 -2.5009 -0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 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 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 11 21 1 0 21 22 2 0 22 8 1 0 1 23 1 0 1 24 1 0 1 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 9 31 1 0 10 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 M END