@MOLECULE (1e,3e,5e,9r,11e,15s,19s,20ar)-15,18-dihydroxy-19-methoxy-2-methyl-9-phenyl-9,10,13,14,15,16,20,20a-octahydrocyclopenta[i]azacyclononadecine-7,17(8h,19h)-dione 35 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -5.7589 -1.2675 2.5057 C.3 1 UNL1 0.5350 2 O -5.7340 0.0417 2.8532 O.2 1 UNL1 -0.3314 3 C -4.9941 0.7157 1.9160 C.2 1 UNL1 -0.0193 4 C -4.4992 1.8714 1.4859 C.2 1 UNL1 0.0818 5 C -3.7228 1.7325 0.2674 C.2 1 UNL1 -0.0499 6 C -3.0671 2.6628 -0.3639 C.1 1 UNL1 0.0570 7 C -2.2940 3.5446 -1.0811 C.2 1 UNL1 -0.4114 8 C -2.8175 4.3917 -2.0049 C.3 1 UNL1 0.5405 9 C -0.9098 3.4861 -0.8559 C.1 1 UNL1 0.0615 10 C 0.2790 3.3220 -0.6449 C.1 1 UNL1 -0.0822 11 C 1.5436 2.8920 -0.4179 C.1 1 UNL1 0.1045 12 C 2.5945 2.3075 -0.2160 C.1 1 UNL1 -0.1096 13 C 3.5630 1.3084 -0.0236 C.2 1 UNL1 0.4170 14 O 4.8503 1.7406 0.2696 O.3 1 UNL1 -0.2335 15 N 3.1880 0.0747 -0.1187 N.2 1 UNL1 -0.4040 16 C 4.0679 -0.9994 0.0845 C.2 1 UNL1 0.1661 17 C 3.4306 -2.1852 -0.0372 C.2 1 UNL1 -0.0102 18 C 2.3346 -2.8487 -0.2552 C.1 1 UNL1 0.0318 19 C 1.1766 -3.2844 -0.4861 C.1 1 UNL1 -0.0236 20 C -0.1259 -3.4033 -0.7540 C.1 1 UNL1 0.0629 21 C -1.3241 -3.3219 -1.0041 C.1 1 UNL1 -0.1543 22 C -2.7012 -3.0958 -1.3067 C.2 1 UNL1 0.4696 23 O -3.5024 -3.9702 -1.5771 O.2 1 UNL1 -0.3333 24 C -3.0343 -1.7253 -1.2591 C.1 1 UNL1 -0.1211 25 C -3.2049 -0.3305 -1.2616 C.2 1 UNL1 0.4458 26 O -2.8609 0.3545 -2.2141 O.2 1 UNL1 -0.3662 27 C -3.8080 0.2563 -0.0710 C.2 1 UNL1 -0.2275 28 C -4.5421 -0.3082 0.9164 C.2 1 UNL1 0.2124 29 O -5.0481 -1.4932 1.3459 O.2 1 UNL1 -0.3678 30 C 5.4292 -0.6776 0.3859 C.ar 1 UNL1 -0.0926 31 C 5.7607 0.7444 0.4672 C.ar 1 UNL1 0.1638 32 C 7.0680 1.0627 0.7627 C.ar 1 UNL1 -0.0579 33 C 8.0076 0.1608 0.9702 C.ar 1 UNL1 0.0373 34 C 7.7186 -1.1384 0.8986 C.ar 1 UNL1 -0.0156 35 C 6.4902 -1.5285 0.6188 C.ar 1 UNL1 0.0246 @BOND 1 26 25 1 2 8 7 1 3 23 22 1 4 22 24 2 5 22 21 1 6 25 24 2 7 25 27 1 8 7 9 1 9 7 6 2 10 21 20 3 11 9 10 3 12 20 19 1 13 10 11 1 14 19 18 3 15 11 12 3 16 6 5 2 17 18 17 1 18 12 13 1 19 15 13 2 20 15 16 1 21 27 5 1 22 27 28 2 23 17 16 2 24 13 14 1 25 16 30 1 26 5 4 1 27 14 31 1 28 30 31 ar 29 30 35 ar 30 31 32 ar 31 35 34 ar 32 32 33 ar 33 34 33 ar 34 28 29 1 35 28 3 1 36 29 1 1 37 4 3 2 38 3 2 1 39 1 2 1