@MOLECULE n,n-dimethyl-n'-(6-methylergolin-8-yl)sulfuric diamide 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.6257 -1.1513 -0.2629 S.O2 1 UNL1111111111 2.4492 2 O -3.9267 -1.9738 -1.4079 O.2 1 UNL1111111111 -0.8935 3 O -3.3347 -1.6949 1.0393 O.2 1 UNL1111111111 -0.8935 4 N 0.0509 2.1539 0.9830 N.3 1 UNL1111111111 -0.4302 5 N -2.2825 -0.1669 -0.7590 N.3 1 UNL1111111111 -0.9146 6 N 5.2597 0.1219 -1.2772 N.ar 1 UNL1111111111 -0.3823 7 N -4.9295 -0.0128 -0.0627 N.3 1 UNL1111111111 -0.6644 8 C 1.1367 -0.0402 0.9466 C.3 1 UNL1111111111 -0.1293 9 C 1.3558 1.4994 0.7488 C.3 1 UNL1111111111 0.0540 10 C 0.0653 -0.5728 -0.0164 C.3 1 UNL1111111111 -0.3161 11 C -1.2403 0.2142 0.2064 C.3 1 UNL1111111111 0.1037 12 C 2.0305 1.8825 -0.6097 C.3 1 UNL1111111111 -0.3111 13 C -0.9799 1.7374 0.0092 C.3 1 UNL1111111111 -0.1392 14 C 2.4162 -0.7896 0.7269 C.ar 1 UNL1111111111 0.0369 15 C 3.3451 -0.1784 -0.1150 C.ar 1 UNL1111111111 -0.1214 16 C 3.2566 1.0841 -0.7857 C.ar 1 UNL1111111111 -0.0872 17 C 0.1649 3.6247 1.0373 C.3 1 UNL1111111111 -0.2738 18 C 4.5988 -0.7655 -0.4297 C.ar 1 UNL1111111111 0.1276 19 C 2.7567 -2.0188 1.2587 C.ar 1 UNL1111111111 -0.2216 20 C 4.4346 1.2456 -1.4886 C.ar 1 UNL1111111111 -0.0549 21 C 4.9361 -2.0153 0.1139 C.ar 1 UNL1111111111 -0.2316 22 C 4.0039 -2.6120 0.9459 C.ar 1 UNL1111111111 -0.0905 23 C -4.8188 0.8765 1.1027 C.3 1 UNL1111111111 -0.2515 24 C -5.3374 0.7025 -1.2804 C.3 1 UNL1111111111 -0.2505 25 H 0.7820 -0.1849 1.9999 H 1 UNL1111111111 0.1667 26 H 2.0435 1.8397 1.5697 H 1 UNL1111111111 0.1457 27 H 0.4149 -0.4834 -1.0609 H 1 UNL1111111111 0.1490 28 H -0.0996 -1.6534 0.1619 H 1 UNL1111111111 0.1611 29 H -1.5939 0.0477 1.2605 H 1 UNL1111111111 0.1669 30 H 2.2418 2.9683 -0.6241 H 1 UNL1111111111 0.1508 31 H 1.3292 1.6927 -1.4480 H 1 UNL1111111111 0.1553 32 H -0.7104 1.9504 -1.0446 H 1 UNL1111111111 0.1193 33 H -1.9147 2.2987 0.2182 H 1 UNL1111111111 0.1362 34 H -1.9202 -0.3501 -1.6917 H 1 UNL1111111111 0.3085 35 H 0.3843 4.1038 0.0719 H 1 UNL1111111111 0.1185 36 H 0.9546 3.9047 1.7549 H 1 UNL1111111111 0.1496 37 H -0.7831 4.0366 1.4228 H 1 UNL1111111111 0.1425 38 H 2.0735 -2.5448 1.9198 H 1 UNL1111111111 0.1592 39 H 4.7615 2.0515 -2.1149 H 1 UNL1111111111 0.1661 40 H 6.1569 -0.0125 -1.6748 H 1 UNL1111111111 0.3116 41 H 5.8840 -2.4880 -0.1093 H 1 UNL1111111111 0.1559 42 H 4.2313 -3.5832 1.3869 H 1 UNL1111111111 0.1473 43 H -4.5986 0.2830 2.0128 H 1 UNL1111111111 0.1686 44 H -5.7931 1.3675 1.2773 H 1 UNL1111111111 0.1451 45 H -4.0538 1.6645 1.0022 H 1 UNL1111111111 0.1251 46 H -6.3117 1.1928 -1.1032 H 1 UNL1111111111 0.1444 47 H -5.4956 -0.0166 -2.1084 H 1 UNL1111111111 0.1650 48 H -4.6233 1.4740 -1.6133 H 1 UNL1111111111 0.1273 @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 34 1 10 6 18 ar 11 6 20 ar 12 6 40 1 13 7 23 1 14 7 24 1 15 8 9 1 16 8 10 1 17 8 14 1 18 8 25 1 19 9 12 1 20 9 26 1 21 10 11 1 22 10 27 1 23 10 28 1 24 11 13 1 25 11 29 1 26 12 16 1 27 12 30 1 28 12 31 1 29 13 32 1 30 13 33 1 31 14 15 ar 32 14 19 ar 33 15 16 ar 34 15 18 ar 35 16 20 ar 36 17 35 1 37 17 36 1 38 17 37 1 39 18 21 ar 40 19 22 ar 41 19 38 1 42 20 39 1 43 21 22 ar 44 21 41 1 45 22 42 1 46 23 43 1 47 23 44 1 48 23 45 1 49 24 46 1 50 24 47 1 51 24 48 1