@MOLECULE (r)-bevantolol 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.3643 -1.7634 0.1482 O.3 1 UNL1111111111 -0.3743 2 O 4.9582 -0.9620 -0.3672 O.3 1 UNL1111111111 -0.5578 3 O -2.1807 0.6382 -2.0898 O.3 1 UNL1111111111 -0.2943 4 O -3.6653 0.1981 -0.1043 O.3 1 UNL1111111111 -0.2895 5 N 2.6694 1.8828 -0.0827 N.3 1 UNL1111111111 -0.5401 6 C 3.5367 0.7997 0.4297 C.3 1 UNL1111111111 -0.1741 7 C 3.8498 -0.1727 -0.7285 C.3 1 UNL1111111111 0.1384 8 C 2.0850 2.6522 1.0432 C.3 1 UNL1111111111 -0.0971 9 C 0.8790 3.4761 0.5486 C.3 1 UNL1111111111 -0.2838 10 C -0.3332 2.6034 0.4339 C.ar 1 UNL1111111111 0.0302 11 C 2.6399 -1.0568 -1.0632 C.3 1 UNL1111111111 -0.0927 12 C -0.6091 2.0009 -0.8016 C.ar 1 UNL1111111111 -0.2392 13 C -1.1670 2.3877 1.5249 C.ar 1 UNL1111111111 -0.1839 14 C -1.7432 1.2174 -0.9342 C.ar 1 UNL1111111111 0.1518 15 C -2.2940 1.5668 1.4027 C.ar 1 UNL1111111111 -0.2312 16 C -2.5939 0.9918 0.1797 C.ar 1 UNL1111111111 0.1410 17 C 1.0562 -2.0393 0.4073 C.ar 1 UNL1111111111 0.2896 18 C 0.0833 -2.1888 -0.5784 C.ar 1 UNL1111111111 -0.3362 19 C -1.2218 -2.4931 -0.1849 C.ar 1 UNL1111111111 0.1410 20 C 0.7740 -2.2170 1.7679 C.ar 1 UNL1111111111 -0.2828 21 C -1.5272 -2.6633 1.1684 C.ar 1 UNL1111111111 -0.2695 22 C -0.5297 -2.5306 2.1328 C.ar 1 UNL1111111111 -0.0606 23 C -2.2891 -2.6115 -1.2155 C.3 1 UNL1111111111 -0.4762 24 C -1.1999 0.4677 -3.1026 C.3 1 UNL1111111111 -0.2086 25 C -4.5127 -0.1383 0.9837 C.3 1 UNL1111111111 -0.2118 26 H 2.9953 0.2509 1.2350 H 1 UNL1111111111 0.1643 27 H 4.4873 1.1650 0.8693 H 1 UNL1111111111 0.1275 28 H 4.2147 0.3600 -1.6348 H 1 UNL1111111111 0.1426 29 H 2.8272 3.3220 1.5273 H 1 UNL1111111111 0.1058 30 H 1.7340 1.9397 1.8249 H 1 UNL1111111111 0.1518 31 H 1.1098 3.9479 -0.4260 H 1 UNL1111111111 0.1508 32 H 0.6925 4.3144 1.2479 H 1 UNL1111111111 0.1440 33 H 3.1828 2.4970 -0.7148 H 1 UNL1111111111 0.2487 34 H 1.7847 -0.4262 -1.3742 H 1 UNL1111111111 0.1565 35 H 2.8743 -1.8161 -1.8283 H 1 UNL1111111111 0.1405 36 H 0.0784 2.1467 -1.6301 H 1 UNL1111111111 0.1724 37 H -0.9472 2.8495 2.4844 H 1 UNL1111111111 0.1524 38 H 4.7098 -1.6136 0.3211 H 1 UNL1111111111 0.3311 39 H -2.9188 1.3896 2.2719 H 1 UNL1111111111 0.1601 40 H 0.3224 -2.0786 -1.6284 H 1 UNL1111111111 0.1628 41 H 1.5563 -2.1101 2.5103 H 1 UNL1111111111 0.1664 42 H -2.5431 -2.8984 1.4680 H 1 UNL1111111111 0.1526 43 H -0.7735 -2.6724 3.1856 H 1 UNL1111111111 0.1438 44 H -2.7507 -1.6191 -1.3902 H 1 UNL1111111111 0.1948 45 H -1.9127 -2.9660 -2.1832 H 1 UNL1111111111 0.1538 46 H -3.0942 -3.2905 -0.9115 H 1 UNL1111111111 0.1549 47 H -0.9410 1.4339 -3.5518 H 1 UNL1111111111 0.1319 48 H -0.3104 -0.0408 -2.7158 H 1 UNL1111111111 0.1351 49 H -1.7190 -0.1677 -3.8316 H 1 UNL1111111111 0.1478 50 H -5.2673 -0.7737 0.4995 H 1 UNL1111111111 0.1502 51 H -4.9862 0.7570 1.3991 H 1 UNL1111111111 0.1327 52 H -3.9649 -0.7022 1.7468 H 1 UNL1111111111 0.1358 @BOND 1 1 11 1 2 1 17 1 3 2 7 1 4 2 38 1 5 3 14 1 6 3 24 1 7 4 16 1 8 4 25 1 9 5 6 1 10 5 8 1 11 5 33 1 12 6 7 1 13 6 26 1 14 6 27 1 15 7 11 1 16 7 28 1 17 8 9 1 18 8 29 1 19 8 30 1 20 9 10 1 21 9 31 1 22 9 32 1 23 10 12 ar 24 10 13 ar 25 11 34 1 26 11 35 1 27 12 14 ar 28 12 36 1 29 13 15 ar 30 13 37 1 31 14 16 ar 32 15 16 ar 33 15 39 1 34 17 18 ar 35 17 20 ar 36 18 19 ar 37 18 40 1 38 19 21 ar 39 19 23 1 40 20 22 ar 41 20 41 1 42 21 22 ar 43 21 42 1 44 22 43 1 45 23 44 1 46 23 45 1 47 23 46 1 48 24 47 1 49 24 48 1 50 24 49 1 51 25 50 1 52 25 51 1 53 25 52 1