@MOLECULE (s)-azelastine 51 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -4.7532 -2.4810 0.0088 Cl 1 UNL1 -0.1043 2 O 2.7005 2.6229 -0.1582 O.2 1 UNL1 -0.4879 3 N -2.1508 3.8182 0.3285 N.3 1 UNL1 -0.4161 4 N 1.1454 0.9759 -0.0914 N.ar 1 UNL1 -0.3246 5 N 0.8005 -0.3165 -0.0316 N.ar 1 UNL1 -0.1412 6 C -0.0185 1.9132 -0.1880 C.3 1 UNL1 0.1419 7 C -0.7862 1.6140 -1.4914 C.3 1 UNL1 -0.3003 8 C -0.9108 1.7336 1.0556 C.3 1 UNL1 -0.3168 9 C -1.7599 2.7429 -1.8269 C.3 1 UNL1 -0.2658 10 C -1.6092 3.0384 1.4682 C.3 1 UNL1 -0.1067 11 C -2.7984 2.9852 -0.7108 C.3 1 UNL1 -0.1076 12 C 2.4808 1.4324 -0.0927 C.ar 1 UNL1 0.5339 13 C -3.0628 4.8682 0.8307 C.3 1 UNL1 -0.2796 14 C 3.5083 0.3842 -0.0116 C.ar 1 UNL1 -0.1559 15 C 1.7135 -1.2572 0.0369 C.ar 1 UNL1 0.0231 16 C 3.1360 -0.9674 0.0526 C.ar 1 UNL1 0.0077 17 C 1.2085 -2.6745 0.0986 C.3 1 UNL1 -0.2647 18 C 4.8595 0.7552 -0.0021 C.ar 1 UNL1 -0.0713 19 C 4.1337 -1.9510 0.1268 C.ar 1 UNL1 -0.1767 20 C -0.2941 -2.7084 0.0788 C.ar 1 UNL1 0.0330 21 C 5.8345 -0.2268 0.0717 C.ar 1 UNL1 -0.1721 22 C 5.4688 -1.5786 0.1359 C.ar 1 UNL1 -0.1005 23 C -0.9719 -2.7388 -1.1429 C.ar 1 UNL1 -0.1373 24 C -1.0049 -2.6396 1.2802 C.ar 1 UNL1 -0.1376 25 C -2.3638 -2.6786 -1.1713 C.ar 1 UNL1 -0.1667 26 C -2.3968 -2.5790 1.2654 C.ar 1 UNL1 -0.1669 27 C -3.0422 -2.5920 0.0366 C.ar 1 UNL1 0.0220 28 H 0.4062 2.9565 -0.2163 H 1 UNL1 0.1891 29 H -1.3199 0.6474 -1.4045 H 1 UNL1 0.1543 30 H -0.0689 1.4814 -2.3252 H 1 UNL1 0.1479 31 H -0.3040 1.3752 1.9116 H 1 UNL1 0.1548 32 H -1.6491 0.9286 0.8751 H 1 UNL1 0.1562 33 H -1.1989 3.6847 -2.0045 H 1 UNL1 0.1600 34 H -2.2837 2.5122 -2.7721 H 1 UNL1 0.1306 35 H -2.3871 2.7988 2.2264 H 1 UNL1 0.1119 36 H -0.8668 3.7089 1.9652 H 1 UNL1 0.1441 37 H -3.6726 3.5164 -1.1428 H 1 UNL1 0.1229 38 H -3.1866 2.0226 -0.3208 H 1 UNL1 0.1249 39 H -3.3508 5.5221 -0.0092 H 1 UNL1 0.1442 40 H -2.5226 5.4997 1.5555 H 1 UNL1 0.1445 41 H -3.9769 4.4894 1.3103 H 1 UNL1 0.1147 42 H 1.6007 -3.1675 1.0162 H 1 UNL1 0.1652 43 H 1.6261 -3.2533 -0.7556 H 1 UNL1 0.1656 44 H 5.1238 1.8160 -0.0532 H 1 UNL1 0.1806 45 H 3.8596 -3.0025 0.1768 H 1 UNL1 0.1583 46 H 6.8884 0.0471 0.0802 H 1 UNL1 0.1599 47 H 6.2461 -2.3409 0.1933 H 1 UNL1 0.1523 48 H -0.4128 -2.7854 -2.0763 H 1 UNL1 0.1599 49 H -0.4716 -2.6093 2.2291 H 1 UNL1 0.1596 50 H -2.8960 -2.6882 -2.1204 H 1 UNL1 0.1687 51 H -2.9558 -2.5129 2.1976 H 1 UNL1 0.1688 @BOND 1 34 9 1 2 30 7 1 3 50 25 1 4 48 23 1 5 33 9 1 6 9 7 1 7 9 11 1 8 7 29 1 9 7 6 1 10 25 23 ar 11 25 27 ar 12 23 20 ar 13 37 11 1 14 43 17 1 15 11 38 1 16 11 3 1 17 28 6 1 18 6 4 1 19 6 8 1 20 2 12 2 21 12 4 ar 22 12 14 ar 23 4 5 ar 24 44 18 1 25 5 15 ar 26 14 18 ar 27 14 16 ar 28 39 13 1 29 18 21 ar 30 1 27 1 31 27 26 ar 32 15 16 ar 33 15 17 1 34 16 19 ar 35 21 46 1 36 21 22 ar 37 20 17 1 38 20 24 ar 39 17 42 1 40 19 22 ar 41 19 45 1 42 22 47 1 43 3 13 1 44 3 10 1 45 13 41 1 46 13 40 1 47 32 8 1 48 8 10 1 49 8 31 1 50 26 24 ar 51 26 51 1 52 24 49 1 53 10 36 1 54 10 35 1