@MOLECULE dienestrol 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9634 -2.8090 0.4467 O.3 1 UNL1111111111 -0.4782 2 O 3.9652 -2.8070 -0.4456 O.3 1 UNL1111111111 -0.4785 3 C -0.6887 1.6608 -0.2581 C.2 1 UNL1111111111 -0.0462 4 C 0.6856 1.6607 0.2562 C.2 1 UNL1111111111 -0.0463 5 C -1.4994 0.4515 -0.0598 C.ar 1 UNL1111111111 -0.0637 6 C 1.4989 0.4521 0.0614 C.ar 1 UNL1111111111 -0.0637 7 C -1.1915 2.7339 -0.8894 C.2 1 UNL1111111111 -0.1247 8 C 1.1892 2.7337 0.8872 C.2 1 UNL1111111111 -0.1249 9 C -1.5141 -0.5390 -1.0449 C.ar 1 UNL1111111111 -0.0757 10 C 1.5227 -0.5320 1.0530 C.ar 1 UNL1111111111 -0.0752 11 C -2.2889 0.3141 1.0877 C.ar 1 UNL1111111111 -0.0921 12 C 2.2843 0.3119 -1.0885 C.ar 1 UNL1111111111 -0.0925 13 C -2.3347 -1.6554 -0.9161 C.ar 1 UNL1111111111 -0.3053 14 C 2.3420 -1.6505 0.9198 C.ar 1 UNL1111111111 -0.3055 15 C -3.1128 -0.7934 1.2399 C.ar 1 UNL1111111111 -0.2471 16 C 3.1068 -0.7957 -1.2452 C.ar 1 UNL1111111111 -0.2467 17 C -3.1234 -1.7607 0.2299 C.ar 1 UNL1111111111 0.2861 18 C 3.1243 -1.7587 -0.2310 C.ar 1 UNL1111111111 0.2866 19 C -2.5812 2.8148 -1.4114 C.3 1 UNL1111111111 -0.4465 20 C 2.5793 2.8194 1.4082 C.3 1 UNL1111111111 -0.4464 21 H -0.5887 3.6268 -1.0571 H 1 UNL1111111111 0.1453 22 H 0.5846 3.6245 1.0581 H 1 UNL1111111111 0.1450 23 H -0.8777 -0.4296 -1.9246 H 1 UNL1111111111 0.1592 24 H 0.8919 -0.4203 1.9358 H 1 UNL1111111111 0.1591 25 H -2.2578 1.0837 1.8590 H 1 UNL1111111111 0.1568 26 H 2.2493 1.0802 -1.8597 H 1 UNL1111111111 0.1567 27 H -2.3576 -2.4141 -1.6901 H 1 UNL1111111111 0.1615 28 H 2.3685 -2.4064 1.6915 H 1 UNL1111111111 0.1609 29 H -3.7469 -0.9167 2.1139 H 1 UNL1111111111 0.1739 30 H 3.7273 -0.9219 -2.1275 H 1 UNL1111111111 0.1739 31 H -2.5889 2.9876 -2.4969 H 1 UNL1111111111 0.1546 32 H -3.1680 1.9026 -1.2286 H 1 UNL1111111111 0.1628 33 H -3.1254 3.6454 -0.9395 H 1 UNL1111111111 0.1538 34 H 3.1190 3.6602 0.9482 H 1 UNL1111111111 0.1537 35 H 2.5871 2.9800 2.4958 H 1 UNL1111111111 0.1545 36 H 3.1712 1.9110 1.2157 H 1 UNL1111111111 0.1629 37 H -3.9470 -3.4606 -0.2937 H 1 UNL1111111111 0.3259 38 H 3.9501 -3.4569 0.2961 H 1 UNL1111111111 0.3261 @BOND 1 1 17 1 2 1 37 1 3 2 18 1 4 2 38 1 5 3 4 1 6 3 5 1 7 3 7 2 8 4 6 1 9 4 8 2 10 5 9 ar 11 5 11 ar 12 6 10 ar 13 6 12 ar 14 7 19 1 15 7 21 1 16 8 20 1 17 8 22 1 18 9 13 ar 19 9 23 1 20 10 14 ar 21 10 24 1 22 11 15 ar 23 11 25 1 24 12 16 ar 25 12 26 1 26 13 17 ar 27 13 27 1 28 14 18 ar 29 14 28 1 30 15 17 ar 31 15 29 1 32 16 18 ar 33 16 30 1 34 19 31 1 35 19 32 1 36 19 33 1 37 20 34 1 38 20 35 1 39 20 36 1