@MOLECULE (11beta,17xi)-21-(~125~i)iodo-11-methoxy-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol 25 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.4696 1.3791 -0.0252 C.1 1 UNL1 0.5771 2 C -0.0000 -1.0025 -0.0130 C.ar 1 UNL1 0.0636 3 C 0.4151 0.3586 -0.0185 C.ar 1 UNL1 -0.3246 4 C 1.8214 0.6176 -0.0163 C.ar 1 UNL1 0.1944 5 C 2.8014 -0.3621 -0.0094 C.ar 1 UNL1 -0.1414 6 C 4.1705 0.0399 -0.0034 C.3 1 UNL1 0.0303 7 C 4.4970 1.4451 -0.0043 C.2 1 UNL1 -0.3484 8 C 5.7892 1.7660 0.0080 C.3 1 UNL1 0.0745 9 C 7.0029 0.9669 0.0230 C.2 1 UNL1 0.3236 10 C 6.5262 -0.3838 0.0181 C.2 1 UNL1 -0.0112 11 C 5.2858 -0.9170 0.0066 C.2 1 UNL1 -0.0329 12 C 4.7708 -2.2124 0.0053 C.2 1 UNL1 -0.0087 13 C 3.5452 -2.5684 -0.0004 C.2 1 UNL1 -0.0259 14 C 2.3968 -1.7799 -0.0071 C.ar 1 UNL1 0.0910 15 C 1.0618 -2.0951 -0.0097 C.ar 1 UNL1 -0.0192 16 C 0.3008 -3.2741 -0.0077 C.2 1 UNL1 -0.0323 17 C -1.0071 -3.0088 -0.0077 C.2 1 UNL1 0.0579 18 C -1.2684 -1.6032 -0.0101 C.2 1 UNL1 -0.1077 19 C -2.5111 -0.9895 -0.0068 C.1 1 UNL1 -0.0212 20 C -3.6032 -0.4591 -0.0023 C.1 1 UNL1 -0.2097 21 I -5.3978 0.4033 0.0113 I 1 UNL1 0.1564 22 O -1.2231 2.2429 -0.0311 O.2 1 UNL1 -0.1223 23 O 8.1461 1.3685 0.0373 O.2 1 UNL1 -0.2660 24 O 2.1790 1.9514 -0.0221 O.3 1 UNL1 -0.2852 25 C 3.3812 2.4117 -0.0176 C.2 1 UNL1 0.3879 @BOND 1 22 1 2 2 1 3 2 3 24 25 1 4 24 4 1 5 3 4 ar 6 3 2 ar 7 25 7 2 8 4 5 ar 9 2 18 2 10 2 15 ar 11 18 17 1 12 18 19 1 13 15 16 1 14 15 14 ar 15 5 14 ar 16 5 6 1 17 17 16 2 18 14 13 1 19 19 20 3 20 7 6 1 21 7 8 1 22 6 11 1 23 20 21 1 24 13 12 2 25 12 11 1 26 11 10 2 27 8 9 1 28 10 9 1 29 9 23 2