@MOLECULE (17beta)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.8647 -1.0858 -0.4821 C.ar 1 UNL1111 -0.2541 2 N 4.8586 -2.1763 0.1075 N.3 1 UNL1111 -0.9582 3 O 4.8477 0.0436 1.3428 O.2 1 UNL1111 -0.8921 4 S 5.1147 -0.4804 0.0340 S.O2 1 UNL1111 2.4975 5 C 2.6182 0.0815 -0.5580 C.ar 1 UNL1111 0.2494 6 O 6.3425 -0.2449 -0.6675 O.2 1 UNL1111 -0.8609 7 C 2.0675 1.3415 -0.3054 C.ar 1 UNL1111 -0.0374 8 O 3.9088 0.0056 -1.0076 O.3 1 UNL1111 -0.6495 9 C 0.7197 1.3917 0.0486 C.ar 1 UNL1111 -0.1734 10 C -0.0657 0.2397 0.1363 C.ar 1 UNL1111 -0.0428 11 C 0.5168 -1.0080 -0.1269 C.ar 1 UNL1111 0.0183 12 C -0.2451 -2.2980 -0.0739 C.3 1 UNL1111 -0.2806 13 C -1.6284 -2.1592 0.5670 C.3 1 UNL1111 -0.2829 14 C -2.2993 -0.8891 0.0338 C.3 1 UNL1111 -0.1101 15 C -1.5082 0.3407 0.5573 C.3 1 UNL1111 -0.1209 16 C -2.1685 1.6585 0.0982 C.3 1 UNL1111 -0.2683 17 C -3.6656 1.7338 0.4497 C.3 1 UNL1111 -0.2926 18 C -4.3978 0.5091 -0.1038 C.3 1 UNL1111 0.0546 19 C -3.7378 -0.7549 0.5198 C.3 1 UNL1111 -0.1521 20 C -4.7328 -1.8823 0.2034 C.3 1 UNL1111 -0.2713 21 C -6.1187 -1.2053 0.3202 C.3 1 UNL1111 -0.3348 22 C -5.8589 0.3236 0.3904 C.3 1 UNL1111 0.1292 23 O -6.7024 1.0326 -0.4912 O.3 1 UNL1111 -0.5567 24 C -4.3956 0.5341 -1.6346 C.3 1 UNL1111 -0.4416 25 C 2.8781 2.5939 -0.3975 C.3 1 UNL1111 -0.2476 26 C 3.2969 3.0565 1.0004 C.3 1 UNL1111 -0.4375 27 H -1.5302 0.3181 1.6789 H 1 UNL1111 0.1492 28 H 2.4299 3.3061 1.6197 H 1 UNL1111 0.1384 29 H 3.8534 2.2656 1.5293 H 1 UNL1111 0.1760 30 H 3.9455 3.9359 0.9531 H 1 UNL1111 0.1377 31 H 2.3246 -2.0465 -0.7090 H 1 UNL1111 0.1769 32 H -1.6539 2.5195 0.5665 H 1 UNL1111 0.1358 33 H -2.0331 1.7772 -0.9936 H 1 UNL1111 0.1480 34 H -3.7948 1.8035 1.5445 H 1 UNL1111 0.1344 35 H -4.1041 2.6606 0.0339 H 1 UNL1111 0.1492 36 H 0.2823 2.3662 0.2674 H 1 UNL1111 0.1585 37 H -3.7140 -0.6307 1.6325 H 1 UNL1111 0.1373 38 H -4.5687 -2.2857 -0.8088 H 1 UNL1111 0.1423 39 H -4.6316 -2.7285 0.8976 H 1 UNL1111 0.1328 40 H -6.7453 -1.4432 -0.5548 H 1 UNL1111 0.1523 41 H -6.6617 -1.5588 1.2069 H 1 UNL1111 0.1349 42 H -0.3531 -2.6900 -1.1095 H 1 UNL1111 0.1532 43 H -6.0120 0.7277 1.4098 H 1 UNL1111 0.1087 44 H 0.3423 -3.0638 0.4737 H 1 UNL1111 0.1479 45 H -2.2448 -3.0483 0.3426 H 1 UNL1111 0.1388 46 H -3.3843 0.5539 -2.0506 H 1 UNL1111 0.1423 47 H -1.5434 -2.1192 1.6685 H 1 UNL1111 0.1415 48 H -4.9158 -0.3346 -2.0522 H 1 UNL1111 0.1479 49 H -4.9269 1.4240 -2.0016 H 1 UNL1111 0.1617 50 H -2.2708 -0.9026 -1.0805 H 1 UNL1111 0.1509 51 H 3.7774 2.4383 -1.0309 H 1 UNL1111 0.1590 52 H 2.3024 3.3920 -0.9085 H 1 UNL1111 0.1401 53 H 5.4539 -2.7761 -0.4349 H 1 UNL1111 0.3058 54 H 4.6076 -2.5831 0.9911 H 1 UNL1111 0.3056 55 H -7.6376 0.9093 -0.2463 H 1 UNL1111 0.3092 @BOND 1 1 31 1 2 1 5 ar 3 2 4 1 4 2 53 1 5 2 54 1 6 4 3 2 7 5 8 1 8 6 4 2 9 7 5 ar 10 7 25 1 11 8 4 1 12 9 7 ar 13 10 9 ar 14 10 11 ar 15 11 1 ar 16 12 11 1 17 12 42 1 18 13 12 1 19 14 13 1 20 14 15 1 21 14 50 1 22 15 10 1 23 16 15 1 24 16 33 1 25 17 16 1 26 17 34 1 27 18 17 1 28 18 19 1 29 18 24 1 30 19 14 1 31 20 19 1 32 20 39 1 33 21 20 1 34 21 22 1 35 22 18 1 36 23 22 1 37 23 55 1 38 24 46 1 39 25 26 1 40 25 52 1 41 26 30 1 42 26 29 1 43 27 15 1 44 28 26 1 45 32 16 1 46 35 17 1 47 36 9 1 48 37 19 1 49 38 20 1 50 40 21 1 51 41 21 1 52 43 22 1 53 44 12 1 54 45 13 1 55 47 13 1 56 48 24 1 57 49 24 1 58 51 25 1