@MOLECULE 2-methoxyestra-1,3,5(10)-triene-3,17-diol 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.5765 -0.4409 -0.2305 O.2 1 UNL1 -0.4157 2 O -0.6272 -1.2703 2.2866 O.2 1 UNL1 -0.4535 3 O -5.6058 -1.0726 -0.6307 O.2 1 UNL1 -0.2798 4 C 3.3676 -1.2345 -0.6249 C.2 1 UNL1 -0.6093 5 C 1.5557 2.1280 0.2897 C.1 1 UNL1 0.0781 6 C 0.2199 1.9359 0.1947 C.ar 1 UNL1 0.2479 7 C -0.1605 0.5370 -0.2348 C.ar 1 UNL1 -0.1201 8 C 4.3909 -0.2183 -0.2438 C.2 1 UNL1 0.5339 9 C 2.0242 -0.8454 -0.5666 C.1 1 UNL1 -0.0443 10 C 2.8057 1.8205 0.2788 C.1 1 UNL1 -0.0123 11 C 0.9357 -0.3083 -0.4532 C.1 1 UNL1 -0.0656 12 C 3.7306 0.9935 0.0795 C.1 1 UNL1 0.0148 13 C -0.9230 2.6460 0.3731 C.ar 1 UNL1 -0.2890 14 C 3.7234 -2.4680 -1.0138 C.2 1 UNL1 0.6241 15 C -1.4799 0.1615 -0.3593 C.ar 1 UNL1 0.2219 16 C -2.1182 2.2719 0.2456 C.ar 1 UNL1 0.2582 17 C -2.6995 1.0866 -0.1050 C.ar 1 UNL1 -0.3086 18 C -2.0670 -1.0585 -0.7159 C.2 1 UNL1 -0.1857 19 C -4.0394 0.7468 -0.2135 C.2 1 UNL1 0.1150 20 C -3.2419 -1.4217 -0.8193 C.2 1 UNL1 -0.1230 21 C -4.4770 -0.6913 -0.5822 C.2 1 UNL1 0.3594 22 C -0.6729 -2.3737 2.5722 C.2 1 UNL1 0.4534 @BOND 1 14 4 2 2 20 18 2 3 20 21 1 4 18 15 1 5 3 21 2 6 4 9 1 7 4 8 1 8 21 19 1 9 9 11 3 10 11 7 1 11 15 7 ar 12 15 17 ar 13 8 1 1 14 8 12 2 15 7 6 ar 16 19 17 2 17 17 16 ar 18 12 10 2 19 6 5 2 20 6 13 ar 21 16 13 ar 22 10 5 2 23 2 22 2