@MOLECULE (17beta)-17-[(6-hydroxyhexyl)amino]estra-1,3,5(10)-trien-3-ol 64 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.0686 -2.4166 0.1000 O.3 1 UNL1111111111 -0.4778 2 O -5.4603 -4.1087 0.2995 O.3 1 UNL1111111111 -0.5554 3 N -2.9226 1.2469 -0.0717 N.3 1 UNL1111111111 -0.5695 4 C -0.5043 1.3693 -0.7900 C.3 1 UNL1111111111 0.0518 5 C 0.6859 2.1842 -0.2111 C.3 1 UNL1111111111 -0.1382 6 C 2.0297 1.4619 -0.3604 C.3 1 UNL1111111111 -0.1159 7 C -1.7270 2.1098 -0.1453 C.3 1 UNL1111111111 0.0233 8 C 1.9888 0.0328 0.2176 C.3 1 UNL1111111111 -0.1082 9 C -0.4582 -0.1022 -0.3470 C.3 1 UNL1111111111 -0.2750 10 C 0.2809 2.5069 1.2425 C.3 1 UNL1111111111 -0.2776 11 C -1.2570 2.5006 1.2789 C.3 1 UNL1111111111 -0.2916 12 C 0.9138 -0.7499 -0.5572 C.3 1 UNL1111111111 -0.2761 13 C 3.1640 2.2448 0.3123 C.3 1 UNL1111111111 -0.2777 14 C -0.5588 1.4697 -2.3152 C.3 1 UNL1111111111 -0.4728 15 C 3.3439 -0.6209 0.1628 C.ar 1 UNL1111111111 -0.0959 16 C 4.5027 1.6303 -0.1053 C.3 1 UNL1111111111 -0.2857 17 C 4.5178 0.1375 0.0295 C.ar 1 UNL1111111111 0.0738 18 C -4.1484 2.0170 0.2493 C.3 1 UNL1111111111 -0.1088 19 C 3.4415 -2.0070 0.3078 C.ar 1 UNL1111111111 -0.0901 20 C 5.7629 -0.4913 0.0072 C.ar 1 UNL1111111111 -0.2876 21 C -5.3965 1.1634 -0.0360 C.3 1 UNL1111111111 -0.2828 22 C 4.6722 -2.6566 0.2884 C.ar 1 UNL1111111111 -0.3196 23 C 5.8191 -1.8791 0.1330 C.ar 1 UNL1111111111 0.2929 24 C -5.4693 -0.0413 0.9107 C.3 1 UNL1111111111 -0.2653 25 C -6.4597 -1.1010 0.4109 C.3 1 UNL1111111111 -0.2701 26 C -5.8816 -1.9482 -0.7296 C.3 1 UNL1111111111 -0.3260 27 C -4.8405 -2.9562 -0.2368 C.3 1 UNL1111111111 0.0073 28 H 0.7561 3.1470 -0.7738 H 1 UNL1111111111 0.1323 29 H 2.2517 1.3860 -1.4556 H 1 UNL1111111111 0.1431 30 H -1.9280 3.0407 -0.7325 H 1 UNL1111111111 0.1093 31 H 1.6856 0.0830 1.2962 H 1 UNL1111111111 0.1499 32 H -1.2295 -0.6848 -0.8835 H 1 UNL1111111111 0.1367 33 H -0.7399 -0.1652 0.7250 H 1 UNL1111111111 0.1585 34 H 0.6915 3.4765 1.5613 H 1 UNL1111111111 0.1315 35 H 0.6857 1.7553 1.9415 H 1 UNL1111111111 0.1428 36 H -1.6316 1.7680 2.0165 H 1 UNL1111111111 0.1574 37 H -1.6650 3.4764 1.5764 H 1 UNL1111111111 0.1295 38 H 0.8719 -1.8019 -0.2196 H 1 UNL1111111111 0.1363 39 H 1.1717 -0.7870 -1.6310 H 1 UNL1111111111 0.1411 40 H 3.0545 2.2148 1.4123 H 1 UNL1111111111 0.1443 41 H 3.1258 3.3121 0.0314 H 1 UNL1111111111 0.1367 42 H 0.3184 0.9932 -2.7707 H 1 UNL1111111111 0.1561 43 H -1.4451 0.9710 -2.7200 H 1 UNL1111111111 0.1421 44 H -0.5782 2.5093 -2.6577 H 1 UNL1111111111 0.1427 45 H -3.0427 0.7159 -0.9324 H 1 UNL1111111111 0.2575 46 H 5.3215 2.0782 0.4954 H 1 UNL1111111111 0.1523 47 H 4.7291 1.8978 -1.1608 H 1 UNL1111111111 0.1557 48 H -4.2121 2.9742 -0.3118 H 1 UNL1111111111 0.1087 49 H -4.1002 2.2798 1.3295 H 1 UNL1111111111 0.1433 50 H 2.5380 -2.6032 0.4444 H 1 UNL1111111111 0.1521 51 H 6.6832 0.0755 -0.1027 H 1 UNL1111111111 0.1748 52 H -6.3026 1.7872 0.0734 H 1 UNL1111111111 0.1357 53 H -5.3913 0.8260 -1.0893 H 1 UNL1111111111 0.1372 54 H 4.7322 -3.7329 0.3924 H 1 UNL1111111111 0.1591 55 H -5.7547 0.2975 1.9239 H 1 UNL1111111111 0.1325 56 H -4.4578 -0.4844 1.0282 H 1 UNL1111111111 0.1633 57 H -6.7593 -1.7546 1.2514 H 1 UNL1111111111 0.1290 58 H -7.3942 -0.6121 0.0745 H 1 UNL1111111111 0.1363 59 H 7.0522 -3.3982 0.1922 H 1 UNL1111111111 0.3249 60 H -6.6971 -2.4960 -1.2431 H 1 UNL1111111111 0.1515 61 H -5.4326 -1.2937 -1.4998 H 1 UNL1111111111 0.1458 62 H -4.1644 -2.5306 0.5266 H 1 UNL1111111111 0.1223 63 H -4.2400 -3.3726 -1.0677 H 1 UNL1111111111 0.1361 64 H -6.1106 -3.8646 0.9848 H 1 UNL1111111111 0.3103 @BOND 1 1 23 1 2 1 59 1 3 2 27 1 4 2 64 1 5 3 7 1 6 3 18 1 7 3 45 1 8 4 5 1 9 4 7 1 10 4 9 1 11 4 14 1 12 5 6 1 13 5 10 1 14 5 28 1 15 6 8 1 16 6 13 1 17 6 29 1 18 7 11 1 19 7 30 1 20 8 12 1 21 8 15 1 22 8 31 1 23 9 12 1 24 9 32 1 25 9 33 1 26 10 11 1 27 10 34 1 28 10 35 1 29 11 36 1 30 11 37 1 31 12 38 1 32 12 39 1 33 13 16 1 34 13 40 1 35 13 41 1 36 14 42 1 37 14 43 1 38 14 44 1 39 15 17 ar 40 15 19 ar 41 16 17 1 42 16 46 1 43 16 47 1 44 17 20 ar 45 18 21 1 46 18 48 1 47 18 49 1 48 19 22 ar 49 19 50 1 50 20 23 ar 51 20 51 1 52 21 24 1 53 21 52 1 54 21 53 1 55 22 23 ar 56 22 54 1 57 24 25 1 58 24 55 1 59 24 56 1 60 25 26 1 61 25 57 1 62 25 58 1 63 26 27 1 64 26 60 1 65 26 61 1 66 27 62 1 67 27 63 1