@MOLECULE (3s,5r,12r)-12-hydroxy-4,4,4',4',12,14-hexamethyl-4'h,13h-spiro[9,14-diazatetracyclo[5.5.2.0~1,9~.0~3,7~]tetradecane-5,8'-[1,4]dioxepino[2,3-g]indole]-9',13(10'h)-dione 9-oxide 37 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.5297 1.8034 2.9970 O.2 1 UNL1 -0.1488 2 O -4.0473 -3.4888 -2.8484 O.3 1 UNL1 -0.2429 3 O -5.9817 1.4345 -2.1915 O.2 1 UNL1 -0.3511 4 O 0.8879 2.9736 -0.6498 O.2 1 UNL1 -0.2717 5 O 5.3010 1.1226 -0.5544 O.3 1 UNL1 -0.1357 6 O 6.4841 -1.4724 0.6566 O.3 1 UNL1 -0.1651 7 N -6.0299 0.1661 0.4024 N.pl3 1 UNL1 -0.4317 8 N -4.2655 2.6419 -1.3399 N.am 1 UNL1 -0.6641 9 N 2.7873 1.5710 -0.3376 N.2 1 UNL1 -0.4674 10 C -1.5932 0.2929 1.2526 C.2 1 UNL1 -0.3444 11 C -2.4584 -0.3270 0.2477 C.2 1 UNL1 0.2381 12 C -4.8798 0.5469 -0.2527 C.2 1 UNL1 0.1606 13 C -1.8719 -1.4354 -0.5030 C.2 1 UNL1 -0.3434 14 C -3.6791 0.1061 0.0231 C.1 1 UNL1 -0.2337 15 C -2.0954 1.1102 2.1894 C.1 1 UNL1 0.5487 16 C 0.9645 -0.2122 1.1006 C.1 1 UNL1 -0.0597 17 C -0.2274 0.0224 1.2022 C.1 1 UNL1 -0.0409 18 C -3.3717 -2.8597 -2.1291 C.1 1 UNL1 0.4310 19 C -5.1337 1.5539 -1.3555 C.2 1 UNL1 0.6454 20 C -6.6592 -0.6559 1.0136 C.1 1 UNL1 0.5987 21 C -7.4978 -1.3789 1.6870 C.1 1 UNL1 -0.8083 22 C -0.5620 -1.8050 -0.4382 C.2 1 UNL1 0.5439 23 C -2.5893 -2.2120 -1.3620 C.1 1 UNL1 -0.3798 24 C 2.3247 -0.4675 0.9655 C.ar 1 UNL1 -0.0739 25 C 1.7191 2.1886 -0.4135 C.1 1 UNL1 0.5863 26 C -8.3312 -2.0892 2.3381 C.3 1 UNL1 0.4042 27 C -3.5490 3.5943 -1.3833 C.1 1 UNL1 0.4194 28 C 3.2212 0.4035 0.2510 C.ar 1 UNL1 0.2752 29 C 3.0099 -1.5521 1.4605 C.ar 1 UNL1 0.0794 30 C 4.6148 0.1118 0.1182 C.ar 1 UNL1 -0.1021 31 C 4.2607 -1.8185 1.3227 C.ar 1 UNL1 -0.1287 32 C 5.1944 -1.0555 0.6567 C.ar 1 UNL1 0.1832 33 C 7.2421 -1.0109 -0.4165 C.2 1 UNL1 -0.2981 34 C 6.5159 1.3003 -0.7790 C.3 1 UNL1 0.3106 35 C 7.5983 0.3881 -0.4235 C.2 1 UNL1 -0.7266 36 C 7.6523 -1.8851 -1.3388 C.2 1 UNL1 0.4445 37 C 8.7846 0.8787 -0.0964 C.2 1 UNL1 0.5490 @BOND 1 2 18 1 2 3 19 2 3 18 23 3 4 27 8 3 5 23 13 1 6 19 8 am 7 19 12 1 8 36 33 2 9 34 5 1 10 34 35 1 11 4 25 2 12 5 30 1 13 13 22 2 14 13 11 1 15 35 33 1 16 35 37 2 17 33 6 1 18 25 9 2 19 9 28 1 20 12 14 2 21 12 7 1 22 14 11 2 23 30 28 ar 24 30 32 ar 25 11 10 1 26 28 24 ar 27 7 20 1 28 6 32 1 29 32 31 ar 30 24 16 1 31 24 29 ar 32 20 21 3 33 16 17 3 34 17 10 1 35 10 15 2 36 31 29 ar 37 21 26 1 38 15 1 2