@MOLECULE (11alpha)-3,20-dioxopregn-4-en-11-yl diazoacetate 30 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.6043 -2.0544 -0.8029 O.3 1 UNL1 -0.3956 2 O 4.5254 1.3291 -0.9759 O.2 1 UNL1 -0.4011 3 O -6.7744 -0.9871 0.2251 O.2 1 UNL1 -0.3553 4 O 1.6693 -3.9539 -0.7062 O.2 1 UNL1 -0.3963 5 N 3.4985 -2.8659 1.2234 N.3 1 UNL1 0.3944 6 N 4.4467 -3.3589 1.5825 N.3 1 UNL1 -0.0730 7 C 1.6442 1.5493 -0.6518 C.3 1 UNL1 -0.2090 8 C 0.2696 1.9869 0.0561 C.3 1 UNL1 -0.0337 9 C -0.8968 1.1742 -0.0401 C.2 1 UNL1 -0.0171 10 C -0.7941 -0.1981 -0.3122 C.3 1 UNL1 0.1080 11 C -1.8240 -1.2150 -0.3577 C.2 1 UNL1 -0.5270 12 C 1.5824 0.1317 -0.6483 C.2 1 UNL1 -0.0233 13 C 0.5567 -0.7102 -0.5618 C.2 1 UNL1 0.0844 14 C 2.7213 2.3243 0.1380 C.2 1 UNL1 -0.1290 15 C 0.6621 3.0142 0.8490 C.3 1 UNL1 0.0286 16 C -2.1268 1.7694 0.2300 C.1 1 UNL1 -0.0260 17 C 2.0174 3.1844 0.9051 C.2 1 UNL1 0.0048 18 C -4.5927 1.8777 0.5255 C.2 1 UNL1 0.0312 19 C 1.5831 2.0263 -2.0716 C.3 1 UNL1 0.2932 20 C -3.2709 2.1563 0.4319 C.2 1 UNL1 -0.0193 21 C -3.1971 -1.0164 -0.1769 C.1 1 UNL1 0.0903 22 C -1.4730 -2.5119 -0.5946 C.2 1 UNL1 0.6211 23 C 4.1370 2.0907 -0.0731 C.2 1 UNL1 0.0302 24 C -4.4021 -0.9029 -0.0251 C.1 1 UNL1 -0.2537 25 C -5.4436 0.9985 0.4502 C.2 1 UNL1 -0.1515 26 C -5.7308 -0.3962 0.2179 C.2 1 UNL1 0.5461 27 C 5.0834 2.7197 0.7594 C.3 1 UNL1 0.4194 28 C 1.6123 -2.8530 -0.2374 C.2 1 UNL1 0.6593 29 C 2.4080 -2.2806 0.8176 C.3 1 UNL1 -0.5399 30 H 2.1017 -1.3381 1.2854 H 1 UNL1 0.2395 @BOND 1 19 7 1 2 2 23 2 3 1 13 1 4 1 28 1 5 4 28 2 6 7 12 1 7 7 8 1 8 7 14 1 9 12 13 2 10 22 11 2 11 13 10 1 12 11 10 1 13 11 21 1 14 10 9 1 15 28 29 1 16 21 24 3 17 23 14 1 18 23 27 1 19 9 8 1 20 9 16 2 21 24 26 1 22 8 15 1 23 14 17 2 24 26 3 2 25 26 25 1 26 16 20 2 27 20 18 1 28 25 18 2 29 29 5 1 30 29 30 1 31 15 17 1 32 5 6 1