@MOLECULE (2s,3s,7s,8r,9r,10r,11r,13s,14r,17r)-13-chloro-8,17-dimethyl-4,12-bis(methylene)-16-oxo-15,18-dioxatetracyclo[9.6.1.0~1,14~.0~3,8~]octadecane-2,7,9,10-tetrayl tetraacetate 40 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.3279 3.0958 0.7190 O.3 1 UNL1 -0.3158 2 C 2.4502 1.7447 0.5198 C.2 1 UNL1 0.0405 3 C 1.0929 1.0754 0.6385 C.3 1 UNL1 0.2957 4 O 1.2049 -0.1913 1.2583 O.3 1 UNL1 -0.3034 5 C 2.2499 -0.9567 0.8059 C.3 1 UNL1 0.2112 6 C 1.8668 -2.2373 0.5042 C.3 1 UNL1 0.0599 7 C 0.5065 -2.5674 0.2091 C.2 1 UNL1 0.0278 8 C -1.4130 -0.7570 -0.0098 C.2 1 UNL1 -0.0539 9 C -2.7721 -0.7839 0.2643 C.3 1 UNL1 0.2102 10 C -3.7350 0.0739 -0.4448 C.2 1 UNL1 -0.3033 11 C -3.2009 0.7954 -1.4215 C.2 1 UNL1 0.2742 12 C -1.8653 0.9894 -1.7879 C.2 1 UNL1 -0.5959 13 C -0.9321 0.3897 -0.8083 C.3 1 UNL1 0.0629 14 C 0.2582 1.0041 -0.6075 C.3 1 UNL1 0.0913 15 C 1.1253 3.3014 1.4480 C.2 1 UNL1 0.6558 16 C 0.4221 2.0313 1.5931 C.2 1 UNL1 -0.7436 17 C 3.5934 1.0521 0.5350 C.2 1 UNL1 0.0433 18 C 3.5626 -0.3881 0.6115 C.2 1 UNL1 -0.5914 19 O 2.8989 -3.1137 0.3363 O.3 1 UNL1 -0.4002 20 C 2.6534 -4.2821 -0.4103 C.2 1 UNL1 0.4015 21 O 3.6343 -4.8875 -0.7111 O.2 1 UNL1 -0.3328 22 O 0.2819 -3.8549 -0.3488 O.2 1 UNL1 -0.1199 23 C -7.3400 0.9201 -0.2284 C.1 1 UNL1 0.5446 24 O -8.3696 1.4462 -0.3492 O.3 1 UNL1 -0.2528 25 C -0.5191 -1.7464 0.2179 C.1 1 UNL1 -0.0377 26 O -3.3984 -1.6489 1.0932 O.3 1 UNL1 -0.2952 27 C -4.8050 -1.3792 1.0453 C.2 1 UNL1 0.5210 28 O -5.5146 -2.0650 1.7017 O.2 1 UNL1 -0.3294 29 C -1.3693 1.7270 -2.7951 C.3 1 UNL1 0.5980 30 O 0.6018 1.9671 -1.5358 O.3 1 UNL1 -0.4507 31 C 1.6175 1.6219 -2.4359 C.2 1 UNL1 0.2899 32 O 1.8869 0.4684 -2.6569 O.2 1 UNL1 -0.4001 33 O 0.8719 4.4086 1.8054 O.2 1 UNL1 -0.3961 34 C -0.5613 1.6923 2.4223 C.2 1 UNL1 0.6393 35 CL 5.1019 1.8205 0.5148 Cl 1 UNL1 -0.0202 36 C 4.6419 -1.1860 0.5055 C.2 1 UNL1 0.6178 37 C 1.1998 -4.6416 -0.6500 C.3 1 UNL1 0.2421 38 C -6.1962 0.3526 -0.0843 C.1 1 UNL1 -0.5078 39 C -5.0382 -0.2137 0.0927 C.2 1 UNL1 0.2324 40 C 2.2083 2.8225 -2.9966 C.3 1 UNL1 0.3906 @BOND 1 40 31 1 2 29 12 1 3 32 31 2 4 31 30 1 5 12 11 2 6 12 13 1 7 30 14 1 8 11 10 1 9 13 14 1 10 13 8 1 11 21 20 2 12 37 20 1 13 37 22 1 14 14 3 1 15 10 39 2 16 10 9 1 17 20 19 1 18 24 23 1 19 22 7 1 20 23 38 3 21 38 39 1 22 8 25 2 23 8 9 1 24 39 27 1 25 7 25 2 26 7 6 1 27 9 26 1 28 19 6 1 29 6 5 1 30 36 18 2 31 35 17 1 32 2 17 2 33 2 3 1 34 2 1 1 35 17 18 1 36 18 5 1 37 3 4 1 38 3 16 1 39 1 15 1 40 5 4 1 41 27 26 1 42 27 28 2 43 15 16 1 44 15 33 2 45 16 34 2