@MOLECULE n-{[(1r,2s,10r,12r,13s)-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}-2-hydroxypropanamide 73 77 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.0392 -2.2219 -2.1143 O.2 1 UNL1 -0.3811 2 O 2.8045 -1.8915 2.9782 O.2 1 UNL1 -0.3953 3 O 0.2161 -3.7462 -0.4144 O.2 1 UNL1 -0.2589 4 O -1.1355 -0.7067 2.2113 O.2 1 UNL1 -0.3714 5 O -1.2869 -1.3437 -2.9461 O.2 1 UNL1 -0.4022 6 O -3.3984 -1.6845 1.3321 O.2 1 UNL1 -0.2630 7 O -3.1796 3.1541 -1.3278 O.2 1 UNL1 -0.5464 8 O -4.7318 1.3681 -0.1322 O.3 1 UNL1 -0.5585 9 N 1.1316 2.0657 -0.1050 N.3 1 UNL1 -0.4693 10 N 3.8390 1.2518 -0.7547 N.3 1 UNL1 -0.4186 11 N -1.5219 3.0749 0.1741 N.am 1 UNL1 -0.5592 12 N 2.9493 4.8603 -0.5369 N.1 1 UNL1 -0.2358 13 C 1.5114 1.4294 -1.3794 C.3 1 UNL1 0.0699 14 C 2.7151 0.4248 -1.2514 C.3 1 UNL1 0.0020 15 C 3.5753 1.6631 0.6366 C.3 1 UNL1 0.0142 16 C 2.3097 2.5966 0.6154 C.3 1 UNL1 0.0559 17 C 0.1944 1.3525 0.7928 C.3 1 UNL1 0.0474 18 C 0.3050 0.8069 -2.0975 C.3 1 UNL1 -0.3092 19 C 3.3627 0.4840 1.6137 C.3 1 UNL1 -0.3296 20 C 2.4131 -0.7270 -0.3393 C.2 1 UNL1 -0.1695 21 C 2.6783 -0.6694 0.9739 C.2 1 UNL1 -0.0617 22 C -0.5753 0.2521 0.1347 C.2 1 UNL1 -0.1866 23 C -0.5666 0.0337 -1.1857 C.2 1 UNL1 -0.0201 24 C 5.1490 0.5967 -0.9196 C.3 1 UNL1 -0.2686 25 C -0.8332 2.4395 1.2900 C.3 1 UNL1 -0.0786 26 C 1.8718 -1.9643 -0.9484 C.2 1 UNL1 0.4044 27 C 2.6724 3.8583 -0.0333 C.1 1 UNL1 0.0966 28 C 2.3202 -1.8097 1.8759 C.2 1 UNL1 0.4347 29 C -1.3810 -0.6037 1.0368 C.2 1 UNL1 0.4142 30 C -1.4621 -0.9973 -1.8024 C.2 1 UNL1 0.4442 31 C 1.1502 -2.8642 -0.0016 C.2 1 UNL1 0.0870 32 C 1.3600 -2.7880 1.3328 C.2 1 UNL1 -0.1620 33 C -2.5500 -1.5350 -0.9581 C.2 1 UNL1 -0.1931 34 C -2.5282 -1.3153 0.3717 C.2 1 UNL1 0.1286 35 C 0.6473 -3.6353 2.3149 C.3 1 UNL1 -0.4101 36 C -3.5920 -2.2964 -1.6890 C.3 1 UNL1 -0.4162 37 C -2.7924 2.7519 -0.2440 C.2 1 UNL1 0.5179 38 C -3.7611 1.9927 0.6711 C.3 1 UNL1 0.1035 39 C 0.2477 -4.1474 -1.7837 C.3 1 UNL1 -0.2078 40 C -4.7811 -1.7378 0.9856 C.3 1 UNL1 -0.2116 41 C -4.4227 2.9767 1.6280 C.3 1 UNL1 -0.4847 42 H -4.9672 1.9418 -0.9039 H 1 UNL1 0.3486 43 H -0.8986 3.5224 -0.5020 H 1 UNL1 0.3345 44 H 1.8967 2.2802 -2.0236 H 1 UNL1 0.1720 45 H 2.9740 0.0513 -2.2801 H 1 UNL1 0.1799 46 H 4.4469 2.2755 0.9887 H 1 UNL1 0.1559 47 H 2.0213 2.8196 1.6844 H 1 UNL1 0.1640 48 H 0.7142 0.9310 1.6988 H 1 UNL1 0.1591 49 H 0.6517 0.1737 -2.9501 H 1 UNL1 0.1958 50 H -0.2998 1.6145 -2.5813 H 1 UNL1 0.1929 51 H 2.8242 0.8111 2.5278 H 1 UNL1 0.1741 52 H 4.3499 0.1361 2.0050 H 1 UNL1 0.1858 53 H 5.3128 0.3967 -1.9938 H 1 UNL1 0.1571 54 H 5.2589 -0.3508 -0.3697 H 1 UNL1 0.1330 55 H 5.9433 1.2908 -0.5965 H 1 UNL1 0.1503 56 H -1.5397 1.9762 2.0099 H 1 UNL1 0.1530 57 H -0.2805 3.2295 1.8507 H 1 UNL1 0.1488 58 H 1.2958 -3.9152 3.1615 H 1 UNL1 0.1703 59 H 0.2582 -4.5633 1.8704 H 1 UNL1 0.1627 60 H -0.2169 -3.0953 2.7434 H 1 UNL1 0.1745 61 H -3.2661 -2.5643 -2.7106 H 1 UNL1 0.1761 62 H -4.5166 -1.7107 -1.8094 H 1 UNL1 0.1629 63 H -3.8440 -3.2418 -1.1892 H 1 UNL1 0.1531 64 H -3.2920 1.1334 1.2017 H 1 UNL1 0.1524 65 H -0.5070 -4.9437 -1.7959 H 1 UNL1 0.1461 66 H 1.2310 -4.5346 -2.0649 H 1 UNL1 0.1473 67 H -0.0491 -3.3229 -2.4434 H 1 UNL1 0.1608 68 H -5.2607 -1.6544 1.9702 H 1 UNL1 0.1491 69 H -5.0148 -2.6995 0.5239 H 1 UNL1 0.1339 70 H -5.0756 -0.8940 0.3482 H 1 UNL1 0.1656 71 H -4.9029 3.8035 1.0868 H 1 UNL1 0.1664 72 H -3.7046 3.4117 2.3316 H 1 UNL1 0.1569 73 H -5.2095 2.4773 2.2092 H 1 UNL1 0.1655 @BOND 1 49 18 1 2 5 30 2 3 61 36 1 4 50 18 1 5 67 39 1 6 45 14 1 7 1 26 2 8 18 13 1 9 18 23 1 10 66 39 1 11 44 13 1 12 53 24 1 13 62 36 1 14 30 23 1 15 30 33 1 16 65 39 1 17 39 3 1 18 36 63 1 19 36 33 1 20 13 14 1 21 13 9 1 22 7 37 2 23 14 10 1 24 14 20 1 25 23 22 2 26 33 34 2 27 26 20 1 28 26 31 1 29 24 10 1 30 24 55 1 31 24 54 1 32 42 8 1 33 10 15 1 34 12 27 3 35 43 11 1 36 3 31 1 37 20 21 2 38 37 11 am 39 37 38 1 40 8 38 1 41 9 16 1 42 9 17 1 43 27 16 1 44 31 32 2 45 22 17 1 46 22 29 1 47 11 25 1 48 70 40 1 49 34 29 1 50 34 6 1 51 69 40 1 52 16 15 1 53 16 47 1 54 15 46 1 55 15 19 1 56 38 64 1 57 38 41 1 58 17 25 1 59 17 48 1 60 21 19 1 61 21 28 1 62 40 6 1 63 40 68 1 64 29 4 2 65 71 41 1 66 25 57 1 67 25 56 1 68 32 28 1 69 32 35 1 70 19 52 1 71 19 51 1 72 41 73 1 73 41 72 1 74 59 35 1 75 28 2 2 76 35 60 1 77 35 58 1