@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 40 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.3151 -0.2390 2.4041 O.2 1 UNL1 -0.3393 2 O -4.9429 0.3390 -2.9308 O.2 1 UNL1 -0.4258 3 O -6.3786 -0.2769 1.6164 O.2 1 UNL1 -0.3886 4 O 4.7398 -0.6179 -0.0512 O.2 1 UNL1 -0.3429 5 O 0.7420 -4.2608 -0.1127 O.2 1 UNL1 -0.4200 6 O 5.3136 -2.7575 -0.0622 O.2 1 UNL1 -0.3961 7 O 5.0208 2.9402 1.6714 O.2 1 UNL1 -0.3101 8 N 0.4202 0.7823 -0.3913 N.3 1 UNL1 -0.2376 9 N -1.6512 0.2628 2.1324 N.1 1 UNL1 -0.5348 10 N 3.4106 2.3804 0.1616 N.am 1 UNL1 -0.3700 11 N 1.9326 2.4367 -3.1389 N.1 1 UNL1 -0.1789 12 N 3.1896 5.7173 0.8168 N.1 1 UNL1 -0.0962 13 C -0.5080 -0.2295 0.1247 C.3 1 UNL1 0.0579 14 C -1.7884 0.0977 0.7804 C.3 1 UNL1 0.2408 15 C -1.1361 1.0656 -2.0842 C.2 1 UNL1 -0.1018 16 C 0.1544 1.2371 -1.7132 C.3 1 UNL1 0.1676 17 C 1.8030 0.4375 -0.1311 C.3 1 UNL1 -0.0667 18 C -0.0035 -1.4707 0.1514 C.2 1 UNL1 0.0597 19 C -2.3183 0.7180 -1.8904 C.1 1 UNL1 0.0726 20 C -3.0759 0.0960 0.2243 C.3 1 UNL1 -0.0193 21 C -3.3897 0.3202 -1.1677 C.2 1 UNL1 -0.0996 22 C 2.2377 -0.9364 -0.0591 C.3 1 UNL1 0.0608 23 C 1.2715 -1.9668 -0.0135 C.2 1 UNL1 -0.1643 24 C -1.5563 0.4192 3.3079 C.1 1 UNL1 0.3767 25 C 2.6434 1.4535 0.1325 C.3 1 UNL1 0.3447 26 C -4.2396 -0.0611 1.0230 C.2 1 UNL1 0.0135 27 C 1.1490 1.8806 -2.4912 C.1 1 UNL1 0.0962 28 C -4.7552 0.2410 -1.7421 C.2 1 UNL1 0.5483 29 C 3.5728 -1.3687 -0.0494 C.2 1 UNL1 -0.0175 30 C 1.5946 -3.4073 -0.0729 C.2 1 UNL1 0.5511 31 C -5.5265 -0.0850 0.5393 C.2 1 UNL1 0.1696 32 C -5.9024 0.0506 -0.8167 C.2 1 UNL1 -0.6694 33 C 3.0372 -3.7920 -0.0791 C.2 1 UNL1 -0.6805 34 C 3.9347 -2.7032 -0.0583 C.2 1 UNL1 0.2112 35 C -7.1608 0.0131 -1.2771 C.2 1 UNL1 0.6285 36 C 3.3827 -5.0894 -0.1093 C.2 1 UNL1 0.6485 37 C 4.0778 3.2743 1.0108 C.2 1 UNL1 0.6208 38 C 3.5730 4.6317 0.8918 C.1 1 UNL1 0.0029 39 C -5.6128 -0.3669 2.7395 C.3 1 UNL1 0.4768 40 C 5.7871 -1.4713 -0.0580 C.3 1 UNL1 0.5112 @BOND 1 11 27 3 2 2 28 2 3 27 16 1 4 15 19 2 5 15 16 1 6 19 21 2 7 28 21 1 8 28 32 1 9 16 8 1 10 35 32 2 11 21 20 1 12 32 31 1 13 8 17 1 14 8 13 1 15 17 22 1 16 17 25 1 17 5 30 2 18 36 33 2 19 33 30 1 20 33 34 1 21 30 23 1 22 6 34 1 23 6 40 1 24 22 29 1 25 22 23 1 26 34 29 2 27 40 4 1 28 4 29 1 29 23 18 2 30 13 18 1 31 13 14 1 32 25 10 1 33 10 37 am 34 20 14 1 35 20 26 1 36 31 26 2 37 31 3 1 38 14 9 1 39 12 38 3 40 38 37 1 41 37 7 2 42 26 1 1 43 3 39 1 44 9 24 3 45 1 39 1