@MOLECULE n-{[12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}glycinamide 71 75 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.4719 -0.7608 2.3158 O.2 1 UNL1 -0.4065 2 O -4.7952 1.2912 -2.3016 O.2 1 UNL1 -0.3890 3 O -4.8482 -2.4682 0.4276 O.2 1 UNL1 -0.2530 4 O 3.5057 -0.8646 -1.7606 O.2 1 UNL1 -0.4163 5 O 0.0101 -3.5658 1.1623 O.2 1 UNL1 -0.4077 6 O 4.0910 -3.5819 -1.0420 O.2 1 UNL1 -0.2583 7 O 6.0064 2.2326 -0.1480 O.2 1 UNL1 -0.5369 8 N 0.1538 1.1412 -0.2820 N.3 1 UNL1 -0.4352 9 N -1.6496 2.7692 1.2317 N.3 1 UNL1 -0.4237 10 N 3.8612 1.5984 -0.2002 N.am 1 UNL1 -0.5826 11 N 0.5638 3.1848 -2.9916 N.1 1 UNL1 -0.2195 12 N 4.3572 2.1010 2.7806 N.3 1 UNL1 -0.6324 13 C -0.3403 0.6975 1.0496 C.3 1 UNL1 0.0531 14 C -1.7357 1.3032 1.4158 C.3 1 UNL1 0.0344 15 C -1.4680 3.0685 -0.2029 C.3 1 UNL1 0.0467 16 C -0.0017 2.6001 -0.5067 C.3 1 UNL1 0.0359 17 C 1.5636 0.7116 -0.4839 C.3 1 UNL1 0.0355 18 C -0.4373 -0.8437 1.0106 C.3 1 UNL1 -0.2952 19 C -2.5092 2.4312 -1.1552 C.3 1 UNL1 -0.3253 20 C -2.8429 0.7054 0.5923 C.2 1 UNL1 -0.2064 21 C -3.1875 1.2427 -0.5861 C.2 1 UNL1 -0.0076 22 C 1.6638 -0.7794 -0.3007 C.2 1 UNL1 -0.1654 23 C 0.7674 -1.4715 0.4160 C.2 1 UNL1 -0.0116 24 C -2.8040 3.4783 1.8166 C.3 1 UNL1 -0.2682 25 C 2.5873 1.3809 0.4871 C.3 1 UNL1 -0.1159 26 C -3.5537 -0.4621 1.1485 C.2 1 UNL1 0.4112 27 C 0.3172 2.9134 -1.8959 C.1 1 UNL1 0.0760 28 C -4.3113 0.6618 -1.3926 C.2 1 UNL1 0.4300 29 C 2.8018 -1.4467 -0.9691 C.2 1 UNL1 0.4264 30 C 0.8908 -2.9540 0.6054 C.2 1 UNL1 0.4408 31 C -4.3865 -1.2274 0.1736 C.2 1 UNL1 0.1054 32 C -4.7600 -0.6877 -1.0111 C.2 1 UNL1 -0.1772 33 C 2.1144 -3.5903 0.0978 C.2 1 UNL1 -0.1925 34 C 3.0138 -2.8856 -0.6309 C.2 1 UNL1 0.1154 35 C -5.6322 -1.4105 -1.9667 C.3 1 UNL1 -0.4063 36 C 2.3172 -5.0269 0.4033 C.3 1 UNL1 -0.4117 37 C 4.9192 2.2444 0.3965 C.2 1 UNL1 0.5720 38 C 4.6995 3.0352 1.6871 C.3 1 UNL1 -0.1961 39 C -4.3082 -3.1590 1.5538 C.3 1 UNL1 -0.2084 40 C 5.1437 -2.8841 -1.7056 C.3 1 UNL1 -0.2026 41 H 4.0364 1.0285 -1.0255 H 1 UNL1 0.3371 42 H 4.1816 2.5957 3.6417 H 1 UNL1 0.2523 43 H 5.1008 1.4359 2.9405 H 1 UNL1 0.2559 44 H 0.3671 1.0077 1.8649 H 1 UNL1 0.1391 45 H -1.9171 1.0969 2.5086 H 1 UNL1 0.1731 46 H -1.4985 4.1821 -0.3367 H 1 UNL1 0.1492 47 H 0.6783 3.2045 0.1719 H 1 UNL1 0.1644 48 H 1.8231 0.9702 -1.5537 H 1 UNL1 0.1885 49 H -1.3080 -1.1645 0.3858 H 1 UNL1 0.1854 50 H -0.6484 -1.2377 2.0290 H 1 UNL1 0.1815 51 H -2.0231 2.1401 -2.1186 H 1 UNL1 0.1969 52 H -3.2687 3.1893 -1.4565 H 1 UNL1 0.1815 53 H -2.8627 3.2452 2.8937 H 1 UNL1 0.1523 54 H -3.7724 3.2291 1.3552 H 1 UNL1 0.1358 55 H -2.6404 4.5654 1.7280 H 1 UNL1 0.1486 56 H 2.1980 2.3542 0.8633 H 1 UNL1 0.1477 57 H 2.7374 0.7528 1.3992 H 1 UNL1 0.1710 58 H -5.6149 -0.9613 -2.9730 H 1 UNL1 0.1701 59 H -6.6825 -1.4022 -1.6327 H 1 UNL1 0.1618 60 H -5.3397 -2.4676 -2.0696 H 1 UNL1 0.1628 61 H 1.6006 -5.4046 1.1500 H 1 UNL1 0.1690 62 H 3.3303 -5.2231 0.7890 H 1 UNL1 0.1615 63 H 2.1976 -5.6478 -0.4997 H 1 UNL1 0.1636 64 H 5.6197 3.6324 1.8853 H 1 UNL1 0.1509 65 H 3.8674 3.7622 1.5547 H 1 UNL1 0.1618 66 H -4.7148 -4.1686 1.4092 H 1 UNL1 0.1483 67 H -4.6794 -2.7202 2.4866 H 1 UNL1 0.1538 68 H -3.2140 -3.1790 1.5345 H 1 UNL1 0.1503 69 H 5.9026 -3.6725 -1.7982 H 1 UNL1 0.1486 70 H 5.5221 -2.0518 -1.1039 H 1 UNL1 0.1487 71 H 4.8175 -2.5395 -2.6938 H 1 UNL1 0.1569 @BOND 1 11 27 3 2 58 35 1 3 71 40 1 4 2 28 2 5 51 19 1 6 60 35 1 7 35 59 1 8 35 32 1 9 27 16 1 10 69 40 1 11 4 29 2 12 40 70 1 13 40 6 1 14 48 17 1 15 52 19 1 16 28 32 1 17 28 21 1 18 19 21 1 19 19 15 1 20 6 34 1 21 41 10 1 22 32 31 2 23 29 34 1 24 29 22 1 25 34 33 2 26 21 20 2 27 16 8 1 28 16 15 1 29 16 47 1 30 63 36 1 31 17 22 1 32 17 8 1 33 17 25 1 34 46 15 1 35 22 23 2 36 8 13 1 37 15 9 1 38 10 37 am 39 10 25 1 40 7 37 2 41 33 36 1 42 33 30 1 43 31 3 1 44 31 26 1 45 49 18 1 46 37 38 1 47 36 62 1 48 36 61 1 49 23 30 1 50 23 18 1 51 3 39 1 52 25 56 1 53 25 57 1 54 20 26 1 55 20 14 1 56 30 5 2 57 18 13 1 58 18 50 1 59 13 14 1 60 13 44 1 61 26 1 2 62 9 14 1 63 9 24 1 64 54 24 1 65 66 39 1 66 14 45 1 67 68 39 1 68 39 67 1 69 65 38 1 70 38 64 1 71 38 12 1 72 55 24 1 73 24 53 1 74 12 43 1 75 12 42 1