@MOLECULE 17-oxoestra-1,3,5(10)-trien-3-yl 5-(dimethylamino)-1-naphthalenesulfonate 69 74 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.2907 -1.8193 0.3741 S.O2 1 UNL1111111111 2.3746 2 O 9.1203 0.4240 1.2578 O.2 1 UNL1111111111 -0.4538 3 O -1.4945 -0.4577 -0.2102 O.3 1 UNL1111111111 -0.6956 4 O -2.1701 -1.7805 1.8074 O.2 1 UNL1111111111 -0.8878 5 O -1.8123 -2.9573 -0.3647 O.2 1 UNL1111111111 -0.8843 6 N -7.8363 1.4708 -0.3508 N.pl3 1 UNL1111111111 -0.4084 7 C 6.2063 0.8646 -0.6239 C.3 1 UNL1111111111 -0.1407 8 C 6.8555 -0.0195 0.4770 C.3 1 UNL1111111111 -0.0373 9 C 4.7722 0.4084 -0.8623 C.3 1 UNL1111111111 -0.1121 10 C 3.9844 0.6927 0.4467 C.3 1 UNL1111111111 -0.1163 11 C 6.1372 0.2642 1.7911 C.3 1 UNL1111111111 -0.2748 12 C 7.2225 0.8283 -1.7793 C.3 1 UNL1111111111 -0.2714 13 C 4.6336 -0.0382 1.6435 C.3 1 UNL1111111111 -0.2716 14 C 4.1024 1.1657 -2.0118 C.3 1 UNL1111111111 -0.2794 15 C 8.3139 0.4206 0.3716 C.2 1 UNL1111111111 0.4650 16 C 8.5885 0.8552 -1.0595 C.3 1 UNL1111111111 -0.3884 17 C 6.8696 -1.5232 0.1731 C.3 1 UNL1111111111 -0.4476 18 C 2.5317 0.3394 0.2698 C.ar 1 UNL1111111111 -0.0775 19 C 2.7214 0.5550 -2.2653 C.3 1 UNL1111111111 -0.2867 20 C 1.9489 0.3010 -1.0054 C.ar 1 UNL1111111111 0.0385 21 C 1.7318 0.1013 1.3923 C.ar 1 UNL1111111111 -0.1265 22 C 0.5941 -0.0056 -1.1474 C.ar 1 UNL1111111111 -0.2612 23 C 0.3804 -0.2015 1.2743 C.ar 1 UNL1111111111 -0.2574 24 C -0.1670 -0.2564 -0.0071 C.ar 1 UNL1111111111 0.3219 25 C -3.8803 -1.3751 -0.1879 C.ar 1 UNL1111111111 -0.4157 26 C -4.6028 -0.2766 0.3627 C.ar 1 UNL1111111111 0.0921 27 C -4.4099 -2.1193 -1.2180 C.ar 1 UNL1111111111 -0.0224 28 C -5.8582 0.0529 -0.2072 C.ar 1 UNL1111111111 -0.0849 29 C -4.1305 0.4979 1.4596 C.ar 1 UNL1111111111 -0.2006 30 C -5.6851 -1.8188 -1.7428 C.ar 1 UNL1111111111 -0.2232 31 C -6.3920 -0.7526 -1.2476 C.ar 1 UNL1111111111 -0.0507 32 C -6.5844 1.1857 0.2938 C.ar 1 UNL1111111111 0.1716 33 C -4.8613 1.5513 1.9442 C.ar 1 UNL1111111111 -0.0881 34 C -6.0934 1.9119 1.3561 C.ar 1 UNL1111111111 -0.2637 35 C -7.6376 2.3308 -1.5401 C.3 1 UNL1111111111 -0.2657 36 C -8.8617 2.0287 0.5529 C.3 1 UNL1111111111 -0.2669 37 H 6.1704 1.9230 -0.2524 H 1 UNL1111111111 0.1433 38 H 4.7436 -0.6842 -1.0845 H 1 UNL1111111111 0.1501 39 H 4.0342 1.7953 0.6500 H 1 UNL1111111111 0.1477 40 H 6.2889 1.3167 2.0955 H 1 UNL1111111111 0.1433 41 H 6.5688 -0.3433 2.6096 H 1 UNL1111111111 0.1530 42 H 7.1005 1.6815 -2.4621 H 1 UNL1111111111 0.1400 43 H 7.1046 -0.0799 -2.3914 H 1 UNL1111111111 0.1437 44 H 4.4752 -1.1281 1.5374 H 1 UNL1111111111 0.1470 45 H 4.1240 0.2532 2.5820 H 1 UNL1111111111 0.1386 46 H 4.7183 1.1115 -2.9275 H 1 UNL1111111111 0.1384 47 H 4.0116 2.2406 -1.7689 H 1 UNL1111111111 0.1429 48 H 9.0403 1.8623 -1.0726 H 1 UNL1111111111 0.1692 49 H 9.3270 0.1890 -1.5346 H 1 UNL1111111111 0.1684 50 H 5.8592 -1.9498 0.1889 H 1 UNL1111111111 0.1594 51 H 7.2974 -1.7424 -0.8110 H 1 UNL1111111111 0.1470 52 H 7.4602 -2.0643 0.9242 H 1 UNL1111111111 0.1564 53 H 2.8329 -0.4061 -2.8145 H 1 UNL1111111111 0.1557 54 H 2.1409 1.2167 -2.9415 H 1 UNL1111111111 0.1515 55 H 2.1660 0.1561 2.3909 H 1 UNL1111111111 0.1518 56 H 0.1241 -0.0488 -2.1265 H 1 UNL1111111111 0.1722 57 H -0.2288 -0.3901 2.1591 H 1 UNL1111111111 0.1921 58 H -3.8641 -2.9665 -1.6591 H 1 UNL1111111111 0.1780 59 H -3.1787 0.2531 1.9416 H 1 UNL1111111111 0.1938 60 H -6.0935 -2.4389 -2.5377 H 1 UNL1111111111 0.1592 61 H -7.3872 -0.5138 -1.6366 H 1 UNL1111111111 0.1727 62 H -4.4953 2.1349 2.7904 H 1 UNL1111111111 0.1556 63 H -6.6308 2.7704 1.7497 H 1 UNL1111111111 0.1612 64 H -8.5824 2.3693 -2.1083 H 1 UNL1111111111 0.1534 65 H -6.8697 1.8865 -2.1956 H 1 UNL1111111111 0.1495 66 H -7.3268 3.3593 -1.2981 H 1 UNL1111111111 0.1309 67 H -8.9395 1.3976 1.4550 H 1 UNL1111111111 0.1534 68 H -9.8359 1.9808 0.0346 H 1 UNL1111111111 0.1524 69 H -8.6849 3.0688 0.8645 H 1 UNL1111111111 0.1250 @BOND 1 1 3 1 2 1 4 2 3 1 5 2 4 1 25 1 5 2 15 2 6 3 24 1 7 6 32 1 8 6 35 1 9 6 36 1 10 7 8 1 11 7 9 1 12 7 12 1 13 7 37 1 14 8 11 1 15 8 15 1 16 8 17 1 17 9 10 1 18 9 14 1 19 9 38 1 20 10 13 1 21 10 18 1 22 10 39 1 23 11 13 1 24 11 40 1 25 11 41 1 26 12 16 1 27 12 42 1 28 12 43 1 29 13 44 1 30 13 45 1 31 14 19 1 32 14 46 1 33 14 47 1 34 15 16 1 35 16 48 1 36 16 49 1 37 17 50 1 38 17 51 1 39 17 52 1 40 18 20 ar 41 18 21 ar 42 19 20 1 43 19 53 1 44 19 54 1 45 20 22 ar 46 21 23 ar 47 21 55 1 48 22 24 ar 49 22 56 1 50 23 24 ar 51 23 57 1 52 25 26 ar 53 25 27 ar 54 26 28 ar 55 26 29 ar 56 27 30 ar 57 27 58 1 58 28 31 ar 59 28 32 ar 60 29 33 ar 61 29 59 1 62 30 31 ar 63 30 60 1 64 31 61 1 65 32 34 ar 66 33 34 ar 67 33 62 1 68 34 63 1 69 35 64 1 70 35 65 1 71 35 66 1 72 36 67 1 73 36 68 1 74 36 69 1