@MOLECULE n,n-diethyl-n'-(6-methylergolin-8a-yl)sulfamide 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.3509 -0.3885 0.2594 S.O2 1 UNL1111111111 2.4430 2 O 3.7228 0.1769 1.5360 O.2 1 UNL1111111111 -0.9195 3 O 3.7533 -1.7369 -0.0657 O.2 1 UNL1111111111 -0.9132 4 N -0.5237 -2.2293 0.1683 N.3 1 UNL1111111111 -0.4219 5 N 1.6291 -0.2433 0.1285 N.3 1 UNL1111111111 -0.8369 6 N -5.9179 0.1905 -0.9055 N.ar 1 UNL1111111111 -0.3835 7 N 3.8510 0.6115 -1.0695 N.3 1 UNL1111111111 -0.7442 8 C -1.3836 0.0706 0.2183 C.3 1 UNL1111111111 -0.1307 9 C -1.7851 -1.4469 0.2944 C.3 1 UNL1111111111 0.0454 10 C -0.3975 0.4224 1.3370 C.3 1 UNL1111111111 -0.2887 11 C 0.8251 -0.5180 1.3337 C.3 1 UNL1111111111 0.0920 12 C -2.7819 -1.8437 -0.8370 C.3 1 UNL1111111111 -0.2856 13 C 0.3364 -1.9927 1.3565 C.3 1 UNL1111111111 -0.1796 14 C -2.6028 0.9440 0.2727 C.ar 1 UNL1111111111 0.0403 15 C -3.7621 0.3749 -0.2565 C.ar 1 UNL1111111111 -0.1309 16 C -3.9426 -0.9357 -0.8033 C.ar 1 UNL1111111111 -0.0872 17 C -0.7528 -3.6797 0.0052 C.3 1 UNL1111111111 -0.2826 18 C -5.0005 1.0637 -0.3242 C.ar 1 UNL1111111111 0.1320 19 C -2.7013 2.2415 0.7407 C.ar 1 UNL1111111111 -0.2340 20 C -5.2646 -1.0266 -1.1924 C.ar 1 UNL1111111111 -0.0535 21 C -5.0894 2.3798 0.1576 C.ar 1 UNL1111111111 -0.2356 22 C -3.9340 2.9356 0.6798 C.ar 1 UNL1111111111 -0.0891 23 C 5.1570 0.3022 -1.6679 C.3 1 UNL1111111111 -0.0476 24 C 3.4599 2.0288 -1.0517 C.3 1 UNL1111111111 -0.0401 25 C 6.3879 0.6775 -0.8333 C.3 1 UNL1111111111 -0.4880 26 C 4.0606 2.8903 0.0648 C.3 1 UNL1111111111 -0.4969 27 H -0.8877 0.2384 -0.7750 H 1 UNL1111111111 0.1746 28 H -2.2901 -1.6283 1.2765 H 1 UNL1111111111 0.1217 29 H -0.0489 1.4681 1.2140 H 1 UNL1111111111 0.1593 30 H -0.8993 0.3745 2.3206 H 1 UNL1111111111 0.1422 31 H 1.4301 -0.3144 2.2593 H 1 UNL1111111111 0.1558 32 H -3.0984 -2.8985 -0.7157 H 1 UNL1111111111 0.1535 33 H -2.2670 -1.7820 -1.8201 H 1 UNL1111111111 0.1679 34 H 1.2132 -2.6763 1.3039 H 1 UNL1111111111 0.1563 35 H -0.1768 -2.2037 2.3156 H 1 UNL1111111111 0.1216 36 H 1.2088 -0.6978 -0.6911 H 1 UNL1111111111 0.3216 37 H 0.2147 -4.2109 0.0407 H 1 UNL1111111111 0.1507 38 H -1.1671 -3.8682 -0.9993 H 1 UNL1111111111 0.1477 39 H -1.4210 -4.1227 0.7572 H 1 UNL1111111111 0.1207 40 H -1.8381 2.7495 1.1595 H 1 UNL1111111111 0.1560 41 H -5.7988 -1.8380 -1.6449 H 1 UNL1111111111 0.1661 42 H -6.8718 0.3854 -1.0869 H 1 UNL1111111111 0.3113 43 H -6.0199 2.9311 0.1213 H 1 UNL1111111111 0.1559 44 H -3.9630 3.9554 1.0652 H 1 UNL1111111111 0.1458 45 H 5.1793 -0.7955 -1.8936 H 1 UNL1111111111 0.1602 46 H 5.2082 0.8145 -2.6575 H 1 UNL1111111111 0.1336 47 H 3.7233 2.4693 -2.0417 H 1 UNL1111111111 0.1307 48 H 2.3420 2.0667 -0.9889 H 1 UNL1111111111 0.1530 49 H 6.5157 1.7620 -0.7579 H 1 UNL1111111111 0.1460 50 H 6.3313 0.2855 0.1905 H 1 UNL1111111111 0.1657 51 H 7.2990 0.2668 -1.2821 H 1 UNL1111111111 0.1476 52 H 3.8607 2.4734 1.0644 H 1 UNL1111111111 0.1839 53 H 5.1465 2.9838 -0.0246 H 1 UNL1111111111 0.1456 54 H 3.6373 3.8993 0.0473 H 1 UNL1111111111 0.1417 @BOND 1 1 2 2 2 1 3 2 3 1 5 1 4 1 7 1 5 4 9 1 6 4 13 1 7 4 17 1 8 5 11 1 9 5 36 1 10 6 18 ar 11 6 20 ar 12 6 42 1 13 7 23 1 14 7 24 1 15 8 9 1 16 8 10 1 17 8 14 1 18 8 27 1 19 9 12 1 20 9 28 1 21 10 11 1 22 10 29 1 23 10 30 1 24 11 13 1 25 11 31 1 26 12 16 1 27 12 32 1 28 12 33 1 29 13 34 1 30 13 35 1 31 14 15 ar 32 14 19 ar 33 15 16 ar 34 15 18 ar 35 16 20 ar 36 17 37 1 37 17 38 1 38 17 39 1 39 18 21 ar 40 19 22 ar 41 19 40 1 42 20 41 1 43 21 22 ar 44 21 43 1 45 22 44 1 46 23 25 1 47 23 45 1 48 23 46 1 49 24 26 1 50 24 47 1 51 24 48 1 52 25 49 1 53 25 50 1 54 25 51 1 55 26 52 1 56 26 53 1 57 26 54 1