@MOLECULE 2-{(5r)-1-[2-chloro-4-(1-pyrrolidinyl)benzoyl]-2,3,4,5-tetrahydro-1h-1-benzazepin-5-yl}-n-isopropylacetamide 61 64 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.6404 -2.5613 -1.1476 Cl 1 UNL111111 -0.0737 2 O 0.7315 0.2975 -1.4140 O.2 1 UNL111111 -0.5448 3 O 4.4238 2.7036 0.9668 O.2 1 UNL111111 -0.5687 4 N 0.7795 -1.0643 0.3811 N.am 1 UNL111111 -0.4822 5 N -5.4552 0.5135 0.2082 N.pl3 1 UNL111111 -0.4240 6 N 3.2131 1.8266 -0.7369 N.am 1 UNL111111 -0.5977 7 C 2.8676 0.2080 2.1434 C.3 1 UNL111111 -0.0853 8 C 1.8899 -0.3325 3.2045 C.3 1 UNL111111 -0.2667 9 C 0.4278 -0.4234 2.7647 C.3 1 UNL111111 -0.2953 10 C 3.1521 -0.7918 1.0541 C.ar 1 UNL111111 -0.0581 11 C 0.2133 -1.4801 1.6686 C.3 1 UNL111111 -0.0520 12 C 2.3971 1.5476 1.5494 C.3 1 UNL111111 -0.3718 13 C 2.1747 -1.3224 0.2012 C.ar 1 UNL111111 0.1646 14 C -6.4499 -0.4607 -0.2837 C.3 1 UNL111111 -0.0725 15 C -6.0551 1.8565 0.3463 C.3 1 UNL111111 -0.0706 16 C -7.8217 0.2214 -0.1265 C.3 1 UNL111111 -0.2769 17 C -7.5268 1.7295 -0.0934 C.3 1 UNL111111 -0.2837 18 C 4.4831 -1.1703 0.8461 C.ar 1 UNL111111 -0.1576 19 C -4.1120 0.3486 -0.0367 C.ar 1 UNL111111 0.3003 20 C 0.1190 -0.2296 -0.5034 C.2 1 UNL111111 0.6142 21 C 2.5258 -2.1639 -0.8641 C.ar 1 UNL111111 -0.1621 22 C 3.4542 2.0713 0.5921 C.2 1 UNL111111 0.5842 23 C -1.3384 -0.0471 -0.3152 C.ar 1 UNL111111 -0.2600 24 C 4.8351 -2.0224 -0.1952 C.ar 1 UNL111111 -0.1563 25 C 3.8568 -2.5098 -1.0609 C.ar 1 UNL111111 -0.1448 26 C -3.6119 -0.8996 -0.4854 C.ar 1 UNL111111 -0.3556 27 C -3.1938 1.3911 0.2536 C.ar 1 UNL111111 -0.3282 28 C -2.2464 -1.0542 -0.6099 C.ar 1 UNL111111 0.1481 29 C -1.8325 1.1921 0.1047 C.ar 1 UNL111111 0.0110 30 C 4.1948 2.1831 -1.7715 C.3 1 UNL111111 -0.1477 31 C 4.9497 0.9306 -2.2579 C.3 1 UNL111111 -0.4546 32 C 3.5520 2.8299 -2.9150 C.3 1 UNL111111 0.1593 33 H 3.8340 0.4236 2.6859 H 1 UNL111111 0.1586 34 H 1.9545 0.3152 4.1028 H 1 UNL111111 0.1409 35 H 2.2431 -1.3315 3.5314 H 1 UNL111111 0.1435 36 H -0.2033 -0.6812 3.6382 H 1 UNL111111 0.1407 37 H 0.0602 0.5614 2.4199 H 1 UNL111111 0.1512 38 H -0.8748 -1.6850 1.5470 H 1 UNL111111 0.1479 39 H 0.6808 -2.4480 1.9639 H 1 UNL111111 0.1495 40 H 2.2533 2.2908 2.3605 H 1 UNL111111 0.1765 41 H 1.4172 1.4439 1.0504 H 1 UNL111111 0.1651 42 H -6.3792 -1.3863 0.3276 H 1 UNL111111 0.1470 43 H -6.2591 -0.7354 -1.3440 H 1 UNL111111 0.1386 44 H -5.5188 2.6124 -0.2655 H 1 UNL111111 0.1406 45 H -5.9750 2.1627 1.4130 H 1 UNL111111 0.1455 46 H -8.3149 -0.1020 0.8071 H 1 UNL111111 0.1485 47 H -8.5031 -0.0449 -0.9493 H 1 UNL111111 0.1473 48 H -8.2017 2.2600 0.5971 H 1 UNL111111 0.1477 49 H -7.6804 2.1827 -1.0883 H 1 UNL111111 0.1476 50 H 5.2632 -0.7753 1.4992 H 1 UNL111111 0.1620 51 H 1.7488 -2.5356 -1.5335 H 1 UNL111111 0.1751 52 H 5.8770 -2.3038 -0.3375 H 1 UNL111111 0.1554 53 H 4.1328 -3.1635 -1.8864 H 1 UNL111111 0.1559 54 H -4.2853 -1.7151 -0.7265 H 1 UNL111111 0.1778 55 H -3.5550 2.3538 0.6004 H 1 UNL111111 0.1654 56 H -1.1347 2.0089 0.3102 H 1 UNL111111 0.1648 57 H 2.4632 1.2004 -1.0260 H 1 UNL111111 0.3424 58 H 4.9426 2.9161 -1.3244 H 1 UNL111111 0.2002 59 H 4.2651 0.1961 -2.7004 H 1 UNL111111 0.1572 60 H 5.7146 1.1773 -3.0005 H 1 UNL111111 0.1523 61 H 5.4432 0.4368 -1.4111 H 1 UNL111111 0.1640 @BOND 1 49 17 1 2 47 16 1 3 43 14 1 4 17 16 1 5 17 48 1 6 17 15 1 7 16 14 1 8 16 46 1 9 44 15 1 10 14 5 1 11 14 42 1 12 15 5 1 13 15 45 1 14 5 19 1 15 32 30 1 16 54 26 1 17 19 26 ar 18 19 27 ar 19 26 28 ar 20 55 27 1 21 27 29 ar 22 28 1 1 23 28 23 ar 24 2 20 2 25 29 23 ar 26 29 56 1 27 59 31 1 28 60 31 1 29 23 20 1 30 30 31 1 31 30 58 1 32 30 6 1 33 31 61 1 34 20 4 am 35 57 6 1 36 51 21 1 37 6 22 am 38 53 25 1 39 21 25 ar 40 21 13 ar 41 4 13 1 42 4 11 1 43 25 24 ar 44 41 12 1 45 13 10 ar 46 22 3 2 47 22 12 1 48 38 11 1 49 11 39 1 50 11 9 1 51 12 40 1 52 12 7 1 53 37 9 1 54 24 52 1 55 24 18 ar 56 10 18 ar 57 10 7 1 58 18 50 1 59 9 36 1 60 9 8 1 61 7 8 1 62 7 33 1 63 8 35 1 64 8 34 1