@MOLECULE bufetolol 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7340 -2.3992 -0.0131 O.3 1 UNL111111111111 -0.4461 2 O 2.9436 0.4626 0.0026 O.3 1 UNL111111111111 -0.3309 3 O 0.1662 0.5532 0.7442 O.3 1 UNL111111111111 -0.3550 4 O -0.3717 -1.6878 2.3350 O.3 1 UNL111111111111 -0.5936 5 N -3.1860 -0.1384 0.5514 N.3 1 UNL111111111111 -0.5842 6 C 1.5747 -1.4225 -0.6177 C.3 1 UNL111111111111 0.1043 7 C 2.4232 -2.1653 -1.6586 C.3 1 UNL111111111111 -0.3042 8 C 2.4238 -3.6288 -1.1816 C.3 1 UNL111111111111 -0.3007 9 C -3.5132 0.1491 -0.8683 C.3 1 UNL111111111111 0.2940 10 C 1.3469 -3.6851 -0.0884 C.3 1 UNL111111111111 -0.0214 11 C 2.4199 -0.7642 0.4835 C.3 1 UNL111111111111 -0.0944 12 C -2.1065 -1.1212 0.7599 C.3 1 UNL111111111111 -0.1633 13 C -1.3377 -0.7143 2.0401 C.3 1 UNL111111111111 0.1556 14 C -4.0189 -1.1027 -1.6196 C.3 1 UNL111111111111 -0.5140 15 C -2.2800 0.7228 -1.5870 C.3 1 UNL111111111111 -0.4688 16 C -4.6327 1.2136 -0.8453 C.3 1 UNL111111111111 -0.4776 17 C -0.6732 0.6662 1.8993 C.3 1 UNL111111111111 -0.0887 18 C 2.1575 1.5718 -0.0187 C.ar 1 UNL111111111111 0.1676 19 C 0.8159 1.6972 0.3822 C.ar 1 UNL111111111111 0.1075 20 C 2.8409 2.6885 -0.5163 C.ar 1 UNL111111111111 -0.2061 21 C 0.1744 2.9319 0.2942 C.ar 1 UNL111111111111 -0.1962 22 C 2.1916 3.9156 -0.5988 C.ar 1 UNL111111111111 -0.1401 23 C 0.8635 4.0387 -0.1944 C.ar 1 UNL111111111111 -0.1683 24 H 0.8610 -0.6976 -1.0672 H 1 UNL111111111111 0.1573 25 H 3.4401 -1.7480 -1.7349 H 1 UNL111111111111 0.1551 26 H 1.9797 -2.0752 -2.6646 H 1 UNL111111111111 0.1485 27 H 3.4110 -3.9238 -0.7912 H 1 UNL111111111111 0.1413 28 H 2.2008 -4.3199 -2.0098 H 1 UNL111111111111 0.1437 29 H 1.7549 -3.9118 0.9095 H 1 UNL111111111111 0.1246 30 H 0.5127 -4.3666 -0.3203 H 1 UNL111111111111 0.1355 31 H 3.3492 -1.3240 0.7025 H 1 UNL111111111111 0.1480 32 H 1.8570 -0.6362 1.4268 H 1 UNL111111111111 0.1676 33 H -4.0206 -0.4108 1.0660 H 1 UNL111111111111 0.2554 34 H -2.4791 -2.1606 0.8685 H 1 UNL111111111111 0.1248 35 H -1.3980 -1.1341 -0.0983 H 1 UNL111111111111 0.1658 36 H -1.9966 -0.7250 2.9383 H 1 UNL111111111111 0.1408 37 H -3.2577 -1.8891 -1.6411 H 1 UNL111111111111 0.1521 38 H -4.9148 -1.5186 -1.1520 H 1 UNL111111111111 0.1430 39 H -4.2686 -0.8608 -2.6568 H 1 UNL111111111111 0.1516 40 H -1.5625 -0.0564 -1.8631 H 1 UNL111111111111 0.1464 41 H -1.7461 1.4298 -0.9361 H 1 UNL111111111111 0.1685 42 H -2.5612 1.2514 -2.5012 H 1 UNL111111111111 0.1442 43 H -5.5412 0.8407 -0.3652 H 1 UNL111111111111 0.1400 44 H -4.3054 2.1018 -0.2910 H 1 UNL111111111111 0.1588 45 H -4.8970 1.5280 -1.8584 H 1 UNL111111111111 0.1457 46 H -1.4414 1.4446 1.7428 H 1 UNL111111111111 0.1485 47 H -0.0382 0.9031 2.7682 H 1 UNL111111111111 0.1344 48 H 0.1362 -1.9367 1.5284 H 1 UNL111111111111 0.3501 49 H 3.8781 2.5805 -0.8274 H 1 UNL111111111111 0.1686 50 H -0.8669 3.0273 0.5975 H 1 UNL111111111111 0.1659 51 H 2.7262 4.7827 -0.9813 H 1 UNL111111111111 0.1494 52 H 0.3621 5.0009 -0.2628 H 1 UNL111111111111 0.1493 @BOND 1 1 6 1 2 1 10 1 3 2 11 1 4 2 18 1 5 3 17 1 6 3 19 1 7 4 13 1 8 4 48 1 9 5 9 1 10 5 12 1 11 5 33 1 12 6 7 1 13 6 11 1 14 6 24 1 15 7 8 1 16 7 25 1 17 7 26 1 18 8 10 1 19 8 27 1 20 8 28 1 21 9 14 1 22 9 15 1 23 9 16 1 24 10 29 1 25 10 30 1 26 11 31 1 27 11 32 1 28 12 13 1 29 12 34 1 30 12 35 1 31 13 17 1 32 13 36 1 33 14 37 1 34 14 38 1 35 14 39 1 36 15 40 1 37 15 41 1 38 15 42 1 39 16 43 1 40 16 44 1 41 16 45 1 42 17 46 1 43 17 47 1 44 18 19 ar 45 18 20 ar 46 19 21 ar 47 20 22 ar 48 20 49 1 49 21 23 ar 50 21 50 1 51 22 23 ar 52 22 51 1 53 23 52 1