@MOLECULE emedastine 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5268 -3.4976 0.2237 O.3 1 UNL1111111111 -0.3924 2 N 0.7083 0.8425 -0.1906 N.pl3 1 UNL1111111111 -0.4343 3 N 3.7504 1.3273 0.5901 N.3 1 UNL1111111111 -0.4059 4 N -1.3759 -0.4186 -0.3500 N.ar 1 UNL1111111111 -0.3341 5 N -1.5659 1.7796 0.2169 N.ar 1 UNL1111111111 -0.4480 6 C 1.1254 1.5380 -1.4434 C.3 1 UNL1111111111 -0.0940 7 C 1.3077 1.3716 1.0611 C.3 1 UNL1111111111 -0.0940 8 C 2.5162 2.1787 -1.3682 C.3 1 UNL1111111111 -0.2928 9 C 2.6484 0.6453 1.3097 C.3 1 UNL1111111111 -0.1246 10 C 3.6084 1.2096 -0.8830 C.3 1 UNL1111111111 -0.1052 11 C -0.7068 0.7974 -0.1011 C.ar 1 UNL1111111111 0.3761 12 C -2.7366 -0.1781 -0.1494 C.ar 1 UNL1111111111 0.0464 13 C -0.7668 -1.6961 -0.6659 C.3 1 UNL1111111111 -0.1014 14 C -2.8416 1.2123 0.2013 C.ar 1 UNL1111111111 0.0703 15 C 5.0530 0.7749 1.0268 C.3 1 UNL1111111111 -0.2844 16 C -0.1939 -2.3498 0.6152 C.3 1 UNL1111111111 -0.0556 17 C -3.8691 -0.9923 -0.2413 C.ar 1 UNL1111111111 -0.1821 18 C -4.0932 1.7819 0.4597 C.ar 1 UNL1111111111 -0.1163 19 C -5.0924 -0.4017 0.0212 C.ar 1 UNL1111111111 -0.1312 20 C -5.2035 0.9630 0.3657 C.ar 1 UNL1111111111 -0.1754 21 C 1.9368 -3.3681 0.2299 C.3 1 UNL1111111111 -0.0087 22 C 2.4446 -2.5126 -0.9231 C.3 1 UNL1111111111 -0.5001 23 H 0.3872 2.3215 -1.7378 H 1 UNL1111111111 0.1453 24 H 1.1077 0.7564 -2.2378 H 1 UNL1111111111 0.1391 25 H 0.6226 1.1740 1.9159 H 1 UNL1111111111 0.1470 26 H 1.4561 2.4731 1.0338 H 1 UNL1111111111 0.1589 27 H 2.7825 2.5629 -2.3717 H 1 UNL1111111111 0.1413 28 H 2.4999 3.0710 -0.7064 H 1 UNL1111111111 0.1697 29 H 2.8732 0.6909 2.3989 H 1 UNL1111111111 0.1386 30 H 2.5513 -0.4286 1.0394 H 1 UNL1111111111 0.1280 31 H 3.3834 0.1742 -1.2143 H 1 UNL1111111111 0.1212 32 H 4.5757 1.4924 -1.3519 H 1 UNL1111111111 0.1290 33 H -1.5121 -2.3707 -1.1432 H 1 UNL1111111111 0.1590 34 H 0.0509 -1.5465 -1.4105 H 1 UNL1111111111 0.1690 35 H 5.1969 -0.2909 0.7989 H 1 UNL1111111111 0.1170 36 H 5.1601 0.9193 2.1147 H 1 UNL1111111111 0.1459 37 H 5.8644 1.3489 0.5494 H 1 UNL1111111111 0.1441 38 H 0.4145 -1.6346 1.1929 H 1 UNL1111111111 0.1366 39 H -0.9971 -2.7503 1.2613 H 1 UNL1111111111 0.1434 40 H -3.7876 -2.0412 -0.5050 H 1 UNL1111111111 0.1597 41 H -4.1664 2.8339 0.7235 H 1 UNL1111111111 0.1695 42 H -6.0012 -0.9992 -0.0369 H 1 UNL1111111111 0.1503 43 H -6.1934 1.3718 0.5607 H 1 UNL1111111111 0.1528 44 H 2.2784 -2.9893 1.2087 H 1 UNL1111111111 0.1121 45 H 2.2465 -4.4270 0.1228 H 1 UNL1111111111 0.1369 46 H 3.5374 -2.5214 -0.9752 H 1 UNL1111111111 0.1453 47 H 2.0621 -2.8782 -1.8840 H 1 UNL1111111111 0.1593 48 H 2.1215 -1.4650 -0.8190 H 1 UNL1111111111 0.1688 @BOND 1 1 16 1 2 1 21 1 3 2 6 1 4 2 7 1 5 2 11 1 6 3 9 1 7 3 10 1 8 3 15 1 9 4 11 ar 10 4 12 ar 11 4 13 1 12 5 11 ar 13 5 14 ar 14 6 8 1 15 6 23 1 16 6 24 1 17 7 9 1 18 7 25 1 19 7 26 1 20 8 10 1 21 8 27 1 22 8 28 1 23 9 29 1 24 9 30 1 25 10 31 1 26 10 32 1 27 12 14 ar 28 12 17 ar 29 13 16 1 30 13 33 1 31 13 34 1 32 14 18 ar 33 15 35 1 34 15 36 1 35 15 37 1 36 16 38 1 37 16 39 1 38 17 19 ar 39 17 40 1 40 18 20 ar 41 18 41 1 42 19 20 ar 43 19 42 1 44 20 43 1 45 21 22 1 46 21 44 1 47 21 45 1 48 22 46 1 49 22 47 1 50 22 48 1