@MOLECULE 2h-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4(3h,5ah)-dione, 9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-3,11a-bis(methylthio)- 32 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -5.5621 -1.4180 0.2708 Cl 1 UNK1 0.1245 2 S 2.5939 1.3773 -3.1694 S.3 0 UNK0 0.2516 3 S 4.5164 1.7790 0.4150 S.3 1 UNL1 -0.4422 4 O -0.7403 -1.7917 -2.6754 O.2 1 UNK1 -0.3345 5 O 0.2399 -3.5630 -0.4307 O.2 1 UNK1 -0.3671 6 O 3.8071 -2.8629 -0.6282 O.2 1 UNK1 -0.1478 7 O 1.4218 1.0947 1.8111 O.2 1 UNK1 -0.4654 8 O -1.0460 3.1881 0.4439 O.2 1 UNK1 -0.4997 9 O -7.4628 1.1945 0.9737 O.2 2 UNL2 -0.4515 10 N 1.6098 -0.3308 0.0641 N.am 1 UNK1 -0.4045 11 N -0.0436 1.3439 -0.4886 N.pl3 1 UNK1 -0.4945 12 N 3.4846 -1.1826 2.5778 N.1 1 UNK1 -0.4747 13 C -0.6575 -1.6278 -1.4891 C.2 1 UNK1 0.4178 14 C 1.1605 0.6618 -0.8547 C.3 0 UNK0 0.1887 15 C 1.6318 -1.6720 -0.3789 C.2 1 UNK1 -0.3284 16 C 0.3961 -2.4029 -0.7025 C.2 1 UNK1 0.4119 17 C -1.5244 -0.7189 -0.7406 C.2 1 UNK1 -0.2966 18 C -1.2121 0.6311 -0.3491 C.2 1 UNK1 0.3112 19 C 2.8101 -2.3044 -0.5067 C.1 1 UNK1 0.5517 20 C 1.6836 -0.0201 1.4304 C.2 1 UNK1 0.6164 21 C 2.1329 -1.1173 2.3393 C.2 1 UNK1 -0.4174 22 C 0.0645 2.7071 -0.0685 C.3 1 UNK1 0.5568 23 C -2.8281 -0.9337 -0.3978 C.3 1 UNK1 0.0040 24 C -2.3461 1.3018 0.2549 C.2 1 UNK1 -0.4429 25 C 1.2267 -1.9102 2.9344 C.2 1 UNK1 0.5399 26 C 4.6457 -1.1878 2.7874 C.1 0 UNK0 0.3127 27 C -4.0974 -0.7327 0.0733 C.3 1 UNK1 -0.0252 28 C -3.3798 0.4061 0.2670 C.3 1 UNK1 0.0521 29 C 1.8460 0.9995 -1.9414 C.1 0 UNK0 -0.0921 30 C 3.9308 3.0841 0.9444 C.1 1 UNL1 0.4423 31 C -2.2501 2.6885 0.7063 C.2 1 UNK1 0.4508 32 C -6.6487 1.7565 0.4068 C.2 2 UNL2 0.4522 @BOND 1 2 29 3 2 4 13 2 3 29 14 1 4 13 17 1 5 13 16 1 6 14 11 1 7 14 10 1 8 17 23 1 9 17 18 2 10 16 5 2 11 16 15 1 12 6 19 2 13 19 15 2 14 11 18 1 15 11 22 1 16 23 27 1 17 23 28 1 18 15 10 1 19 18 24 1 20 22 8 1 21 10 20 am 22 27 28 1 23 27 1 1 24 24 28 1 25 24 31 2 26 32 9 2 27 3 30 3 28 8 31 1 29 20 7 2 30 20 21 1 31 21 12 1 32 21 25 2 33 12 26 3