@MOLECULE (r)-betaxolol 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1422 0.0755 0.5871 O.3 1 UNL1111111111 -0.4030 2 O 2.3049 -1.7492 -0.3529 O.3 1 UNL1111111111 -0.3708 3 O 4.9374 -1.0528 0.0856 O.3 1 UNL1111111111 -0.5539 4 N 2.6441 1.8034 0.1572 N.3 1 UNL1111111111 -0.5756 5 C -3.2482 1.7665 -0.7571 C.3 1 UNL1111111111 -0.1620 6 C -2.3646 2.9655 -1.0201 C.3 1 UNL1111111111 -0.3276 7 C -2.2178 1.7234 -1.8653 C.3 1 UNL1111111111 -0.3247 8 C -3.0358 0.9694 0.5086 C.3 1 UNL1111111111 -0.0428 9 C -3.8529 -1.1656 1.1942 C.3 1 UNL1111111111 -0.0256 10 C -3.2810 -2.1556 0.1667 C.3 1 UNL1111111111 -0.3232 11 C -1.8008 -2.0204 0.0033 C.ar 1 UNL1111111111 -0.0479 12 C 4.0156 -0.1259 -0.4355 C.3 1 UNL1111111111 0.1327 13 C 3.4032 0.6767 0.7359 C.3 1 UNL1111111111 -0.1686 14 C 1.6450 2.3714 1.1022 C.3 1 UNL1111111111 0.1103 15 C 2.9306 -0.8392 -1.2584 C.3 1 UNL1111111111 -0.0915 16 C -0.9418 -2.3544 1.0569 C.ar 1 UNL1111111111 -0.1188 17 C -1.2672 -1.5702 -1.2055 C.ar 1 UNL1111111111 -0.1095 18 C 0.9455 -1.7633 -0.3051 C.ar 1 UNL1111111111 0.2583 19 C 1.2493 3.7731 0.6084 C.3 1 UNL1111111111 -0.4755 20 C 0.4101 1.4582 1.1244 C.3 1 UNL1111111111 -0.4675 21 C 0.4328 -2.2250 0.9160 C.ar 1 UNL1111111111 -0.2481 22 C 0.1089 -1.4364 -1.3718 C.ar 1 UNL1111111111 -0.2771 23 H -4.3091 1.8161 -1.0353 H 1 UNL1111111111 0.1707 24 H -2.7933 3.8651 -1.4500 H 1 UNL1111111111 0.1550 25 H -1.5817 3.2263 -0.3126 H 1 UNL1111111111 0.1577 26 H -1.3308 1.1031 -1.7589 H 1 UNL1111111111 0.1604 27 H -2.5437 1.7316 -2.9004 H 1 UNL1111111111 0.1546 28 H -3.0919 1.6117 1.4080 H 1 UNL1111111111 0.1231 29 H -2.0743 0.4262 0.5055 H 1 UNL1111111111 0.1379 30 H -3.1960 -1.0423 2.0703 H 1 UNL1111111111 0.1197 31 H -4.8569 -1.4861 1.5372 H 1 UNL1111111111 0.1363 32 H -3.5363 -3.1926 0.4662 H 1 UNL1111111111 0.1532 33 H -3.8059 -1.9932 -0.7999 H 1 UNL1111111111 0.1666 34 H 4.6479 0.5170 -1.0890 H 1 UNL1111111111 0.1449 35 H 4.2107 0.9946 1.4284 H 1 UNL1111111111 0.1282 36 H 2.7229 0.0188 1.3199 H 1 UNL1111111111 0.1576 37 H 2.0630 2.4509 2.1390 H 1 UNL1111111111 0.1077 38 H 3.2759 2.5251 -0.1842 H 1 UNL1111111111 0.2565 39 H 2.2285 -0.0971 -1.6805 H 1 UNL1111111111 0.1605 40 H 3.3597 -1.4712 -2.0549 H 1 UNL1111111111 0.1435 41 H -1.3549 -2.7201 1.9960 H 1 UNL1111111111 0.1517 42 H -1.9342 -1.3190 -2.0311 H 1 UNL1111111111 0.1565 43 H 0.8927 3.7363 -0.4296 H 1 UNL1111111111 0.1619 44 H 0.4431 4.1910 1.2202 H 1 UNL1111111111 0.1505 45 H 2.0890 4.4730 0.6469 H 1 UNL1111111111 0.1403 46 H 0.6447 0.4642 1.5229 H 1 UNL1111111111 0.1521 47 H 0.0286 1.3041 0.1055 H 1 UNL1111111111 0.1626 48 H -0.3895 1.8859 1.7342 H 1 UNL1111111111 0.1405 49 H 1.1108 -2.4823 1.7243 H 1 UNL1111111111 0.1671 50 H 0.5130 -1.0962 -2.3199 H 1 UNL1111111111 0.1657 51 H 4.4700 -1.7967 0.5217 H 1 UNL1111111111 0.3291 @BOND 1 1 8 1 2 1 9 1 3 2 15 1 4 2 18 1 5 3 12 1 6 3 51 1 7 4 13 1 8 4 14 1 9 4 38 1 10 5 6 1 11 5 7 1 12 5 8 1 13 5 23 1 14 6 7 1 15 6 24 1 16 6 25 1 17 7 26 1 18 7 27 1 19 8 28 1 20 8 29 1 21 9 10 1 22 9 30 1 23 9 31 1 24 10 11 1 25 10 32 1 26 10 33 1 27 11 16 ar 28 11 17 ar 29 12 13 1 30 12 15 1 31 12 34 1 32 13 35 1 33 13 36 1 34 14 19 1 35 14 20 1 36 14 37 1 37 15 39 1 38 15 40 1 39 16 21 ar 40 16 41 1 41 17 22 ar 42 17 42 1 43 18 21 ar 44 18 22 ar 45 19 43 1 46 19 44 1 47 19 45 1 48 20 46 1 49 20 47 1 50 20 48 1 51 21 49 1 52 22 50 1