@MOLECULE n-{4-[2-(6,7-dimethoxy-3,4-dihydro-2(1h)-isoquinolinyl)ethyl]phenyl}-5-methoxy-9-oxo-9,10-dihydro-4-acridinecarboxamide 75 80 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 10.3086 1.8359 -0.3396 O.3 1 UNL1 -0.3367 2 O 11.0638 -0.8782 0.2623 O.3 1 UNL1 -0.3383 3 O -4.9607 -2.6301 -1.0122 O.3 1 UNL1 -0.3353 4 O -9.4719 0.7252 0.9508 O.2 1 UNL1 -0.4665 5 O -3.1922 2.4099 -1.6400 O.2 1 UNL1 -0.4682 6 N 4.6624 -0.4682 0.0169 N.3 1 UNL1 -0.4255 7 N -2.9926 1.0848 0.2171 N.am 1 UNL1 -0.5917 8 N -5.6850 -0.1113 -0.3167 N.ar 1 UNL1 -0.4444 9 C 5.0789 -1.5048 0.9879 C.3 1 UNL1 -0.1044 10 C 5.6217 0.6651 -0.0034 C.3 1 UNL1 -0.1116 11 C 6.3777 -2.1410 0.4590 C.3 1 UNL1 -0.2802 12 C 7.0623 0.2319 0.0490 C.ar 1 UNL1 -0.0293 13 C 7.4310 -1.0975 0.2763 C.ar 1 UNL1 0.0118 14 C 3.2876 0.0161 0.2868 C.3 1 UNL1 -0.1061 15 C 2.2913 -0.9793 -0.3506 C.3 1 UNL1 -0.2901 16 C 8.0438 1.2109 -0.1207 C.ar 1 UNL1 -0.2133 17 C 8.7791 -1.4590 0.3087 C.ar 1 UNL1 -0.2178 18 C 9.3881 0.8527 -0.0757 C.ar 1 UNL1 0.1247 19 C 9.7567 -0.4848 0.1264 C.ar 1 UNL1 0.1339 20 C 0.9039 -0.4397 -0.2252 C.ar 1 UNL1 -0.0396 21 C 0.1591 -0.6787 0.9320 C.ar 1 UNL1 -0.1276 22 C 0.3481 0.3232 -1.2535 C.ar 1 UNL1 -0.1247 23 C -1.6735 0.6124 0.0260 C.ar 1 UNL1 0.2065 24 C -1.1214 -0.1586 1.0657 C.ar 1 UNL1 -0.2491 25 C -0.9344 0.8494 -1.1389 C.ar 1 UNL1 -0.2032 26 C -6.0329 1.2032 -0.0528 C.ar 1 UNL1 0.2917 27 C -7.3376 1.5242 0.3756 C.ar 1 UNL1 -0.2754 28 C -5.0736 2.2331 -0.1947 C.ar 1 UNL1 -0.2907 29 C -6.6098 -1.1409 -0.1766 C.ar 1 UNL1 0.1839 30 C -7.9189 -0.9008 0.2612 C.ar 1 UNL1 -0.2272 31 C -8.3510 0.4738 0.5642 C.ar 1 UNL1 0.4908 32 C -3.6820 1.9570 -0.6345 C.2 1 UNL1 0.5957 33 C 11.1139 2.1580 0.7932 C.3 1 UNL1 -0.1989 34 C 11.8154 -0.7423 -0.9430 C.3 1 UNL1 -0.1985 35 C -7.6744 2.8589 0.6199 C.ar 1 UNL1 0.0274 36 C -5.4414 3.5537 0.0323 C.ar 1 UNL1 0.0190 37 C -6.2138 -2.4695 -0.4724 C.ar 1 UNL1 0.0852 38 C -8.8082 -1.9743 0.4020 C.ar 1 UNL1 -0.0459 39 C -6.7377 3.8701 0.4445 C.ar 1 UNL1 -0.2655 40 C -7.1004 -3.5216 -0.3349 C.ar 1 UNL1 -0.1276 41 C -8.4062 -3.2686 0.1073 C.ar 1 UNL1 -0.2028 42 C -4.0313 -3.2260 -0.1106 C.3 1 UNL1 -0.1973 43 H 4.2832 -2.2761 1.0553 H 1 UNL1 0.1335 44 H 5.2356 -1.1045 2.0119 H 1 UNL1 0.1187 45 H 5.4388 1.2048 -0.9672 H 1 UNL1 0.1597 46 H 5.4370 1.3928 0.8221 H 1 UNL1 0.1278 47 H 6.7111 -2.9444 1.1420 H 1 UNL1 0.1464 48 H 6.1750 -2.6278 -0.5223 H 1 UNL1 0.1702 49 H 3.0699 0.1394 1.3676 H 1 UNL1 0.1177 50 H 3.1453 1.0145 -0.1833 H 1 UNL1 0.1436 51 H 2.5742 -1.1462 -1.4118 H 1 UNL1 0.1692 52 H 2.3813 -1.9750 0.1237 H 1 UNL1 0.1470 53 H 7.7771 2.2522 -0.2915 H 1 UNL1 0.1723 54 H 9.0788 -2.4916 0.4747 H 1 UNL1 0.1729 55 H 0.5859 -1.2728 1.7384 H 1 UNL1 0.1495 56 H 0.9248 0.5123 -2.1598 H 1 UNL1 0.1586 57 H -1.6861 -0.3453 1.9747 H 1 UNL1 0.1526 58 H -1.3470 1.4427 -1.9582 H 1 UNL1 0.1974 59 H -4.7683 -0.3350 -0.7041 H 1 UNL1 0.3463 60 H -3.4232 0.8544 1.1113 H 1 UNL1 0.3171 61 H 10.4904 2.5532 1.6006 H 1 UNL1 0.1297 62 H 11.6833 1.2860 1.1331 H 1 UNL1 0.1442 63 H 11.7805 2.9335 0.3991 H 1 UNL1 0.1434 64 H 11.4012 -1.3906 -1.7208 H 1 UNL1 0.1303 65 H 11.8401 0.3002 -1.2795 H 1 UNL1 0.1458 66 H 12.8132 -1.0811 -0.6418 H 1 UNL1 0.1434 67 H -8.6940 3.0926 0.9490 H 1 UNL1 0.1739 68 H -4.7061 4.3509 -0.1150 H 1 UNL1 0.1635 69 H -9.8271 -1.7680 0.7468 H 1 UNL1 0.1786 70 H -7.0115 4.9070 0.6237 H 1 UNL1 0.1653 71 H -6.7858 -4.5351 -0.5792 H 1 UNL1 0.1658 72 H -9.1054 -4.0959 0.2128 H 1 UNL1 0.1619 73 H -3.9325 -2.6316 0.8015 H 1 UNL1 0.1287 74 H -4.3240 -4.2534 0.1221 H 1 UNL1 0.1303 75 H -3.0976 -3.2111 -0.6894 H 1 UNL1 0.1568 @BOND 1 56 22 1 2 58 25 1 3 64 34 1 4 5 32 2 5 51 15 1 6 65 34 1 7 22 25 ar 8 22 20 ar 9 25 23 ar 10 3 37 1 11 3 42 1 12 45 10 1 13 34 66 1 14 34 2 1 15 59 8 1 16 75 42 1 17 32 28 1 18 32 7 am 19 71 40 1 20 48 11 1 21 37 40 ar 22 37 29 ar 23 15 20 1 24 15 52 1 25 15 14 1 26 1 18 1 27 1 33 1 28 40 41 ar 29 8 29 ar 30 8 26 ar 31 53 16 1 32 20 21 ar 33 28 26 ar 34 28 36 ar 35 50 14 1 36 29 30 ar 37 16 18 ar 38 16 12 ar 39 68 36 1 40 42 74 1 41 42 73 1 42 18 19 ar 43 26 27 ar 44 10 6 1 45 10 12 1 46 10 46 1 47 6 14 1 48 6 9 1 49 23 7 1 50 23 24 ar 51 36 39 ar 52 12 13 ar 53 41 72 1 54 41 38 ar 55 19 2 1 56 19 17 ar 57 7 60 1 58 30 38 ar 59 30 31 ar 60 13 17 ar 61 13 11 1 62 14 49 1 63 17 54 1 64 27 31 ar 65 27 35 ar 66 63 33 1 67 38 69 1 68 39 35 ar 69 39 70 1 70 11 9 1 71 11 47 1 72 31 4 2 73 35 67 1 74 33 62 1 75 33 61 1 76 21 24 ar 77 21 55 1 78 9 43 1 79 9 44 1 80 24 57 1