@MOLECULE 2-methoxy-4-(3H-pyrazol-1-ium-3-ylium-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7-yl)benzamide 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.3596 3.4295 -0.6865 C.3 1 UNL1111 -0.2126 2 O 1.5917 2.2797 -0.3674 O.3 1 UNL1111 -0.3043 3 C 2.2817 1.1268 -0.1219 C.ar 1 UNL1111 0.3246 4 C 3.6465 1.0118 -0.1713 C.ar 1 UNL1111 -0.3714 5 C 4.2518 -0.2569 0.0687 C.ar 1 UNL1111 -0.0372 6 C 3.4135 -1.3588 0.3592 C.ar 1 UNL1111 -0.1688 7 C 2.0443 -1.2259 0.4068 C.ar 1 UNL1111 -0.1456 8 C 1.4074 0.0277 0.1565 C.ar 1 UNL1111 -0.3951 9 C 0.0088 0.2200 0.2082 C.2 1 UNL1111 0.6329 10 O -0.6480 1.2204 0.4198 O.2 1 UNL1111 -0.5855 11 N -0.7803 -0.9989 -0.0576 N.am 1 UNL1111 -0.5692 12 C -2.1402 -1.0850 0.0046 C.ar 1 UNL1111 0.3279 13 C -2.8054 -2.1804 -0.6112 C.ar 1 UNL1111 -0.3313 14 C -4.1868 -2.2293 -0.6409 C.ar 1 UNL1111 -0.0562 15 C -4.9609 -1.2239 -0.0562 C.ar 1 UNL1111 -0.2221 16 C -6.4455 -1.2358 -0.2094 C.3 1 UNL1111 -0.2602 17 C -6.8964 -0.0403 -1.0618 C.3 1 UNL1111 -0.1648 18 N -7.0777 1.2059 -0.2004 N.4 1 UNL1111 -0.1847 19 C -5.7516 1.7962 0.2764 C.3 1 UNL1111 -0.1505 20 C -5.0974 0.8928 1.3193 C.3 1 UNL1111 -0.3046 21 C -4.3092 -0.1919 0.6376 C.ar 1 UNL1111 0.0325 22 C -2.9349 -0.1207 0.6810 C.ar 1 UNL1111 -0.2677 23 C 5.6666 -0.4063 0.0202 C.ar 1 UNL1111 -0.0487 24 C 6.6534 0.6341 -0.1416 C.ar 1 UNL1111 -0.1004 25 N 7.8998 0.1105 -0.1381 N.ar 1 UNL1111 -0.2594 26 N 7.7603 -1.2274 0.0181 N.ar 1 UNL1111 -0.2191 27 C 6.4229 -1.5908 0.1189 C.ar 1 UNL1111 -0.1623 28 H -7.5989 1.9226 -0.7392 H 1 UNL1111 0.2761 29 H -7.6508 0.9558 0.6316 H 1 UNL1111 0.2848 30 H 8.5704 -1.8004 0.0473 H 1 UNL1111 0.3140 31 H 2.9228 3.2777 -1.6125 H 1 UNL1111 0.1291 32 H 1.5887 4.1956 -0.8249 H 1 UNL1111 0.1309 33 H 3.0217 3.6986 0.1425 H 1 UNL1111 0.1312 34 H 4.2856 1.8512 -0.3950 H 1 UNL1111 0.1475 35 H 3.8673 -2.3234 0.5625 H 1 UNL1111 0.1271 36 H 1.4353 -2.0787 0.6816 H 1 UNL1111 0.1172 37 H -0.2673 -1.7898 -0.4421 H 1 UNL1111 0.3160 38 H -2.2220 -2.9682 -1.0775 H 1 UNL1111 0.1665 39 H -4.6788 -3.0634 -1.1408 H 1 UNL1111 0.1351 40 H -6.7773 -2.1764 -0.7056 H 1 UNL1111 0.1684 41 H -6.9501 -1.2562 0.7768 H 1 UNL1111 0.1452 42 H -6.1312 0.1676 -1.8496 H 1 UNL1111 0.1975 43 H -7.8601 -0.2487 -1.5717 H 1 UNL1111 0.1509 44 H -5.0664 1.9225 -0.5998 H 1 UNL1111 0.2016 45 H -5.9561 2.8086 0.6892 H 1 UNL1111 0.1608 46 H -4.4162 1.5100 1.9585 H 1 UNL1111 0.1964 47 H -5.8239 0.4622 2.0340 H 1 UNL1111 0.1522 48 H -2.4294 0.6854 1.2252 H 1 UNL1111 0.2159 49 H 6.4792 1.6857 -0.2483 H 1 UNL1111 0.1742 50 H 6.1055 -2.6003 0.2434 H 1 UNL1111 0.1650 @BOND 1 1 2 1 2 1 31 1 3 1 32 1 4 1 33 1 5 2 3 1 6 3 4 ar 7 3 8 ar 8 4 5 ar 9 4 34 1 10 5 6 ar 11 5 23 1 12 6 7 ar 13 6 35 1 14 7 8 ar 15 7 36 1 16 8 9 1 17 9 10 2 18 9 11 am 19 11 12 1 20 11 37 1 21 12 13 ar 22 12 22 ar 23 13 14 ar 24 13 38 1 25 14 15 ar 26 14 39 1 27 15 16 1 28 15 21 ar 29 16 17 1 30 16 40 1 31 16 41 1 32 17 18 1 33 17 42 1 34 17 43 1 35 18 19 1 36 18 28 1 37 18 29 1 38 19 20 1 39 19 44 1 40 19 45 1 41 20 21 1 42 20 46 1 43 20 47 1 44 21 22 ar 45 22 48 1 46 23 24 ar 47 23 27 ar 48 24 25 ar 49 24 49 1 50 25 26 ar 51 26 27 ar 52 26 30 1 53 27 50 1