@MOLECULE 3-(2-bromo-9,10-didehydro-6-methylergolin-8a-yl)-1,1-diethylurea 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 BR -4.1716 -2.2807 -0.1039 Br 1 UNL1111111111 0.0034 2 O 5.1809 1.0337 0.4885 O.2 1 UNL1111111111 -0.5889 3 N 1.0807 -0.1871 1.9723 N.3 1 UNL1111111111 -0.4224 4 N 3.0292 0.5178 -0.0730 N.am 1 UNL1111111111 -0.5940 5 N -4.2012 0.4427 -0.8038 N.ar 1 UNL1111111111 -0.3834 6 N 4.8605 -0.8934 -0.7034 N.am 1 UNL1111111111 -0.5137 7 C -0.1798 0.4379 1.4838 C.3 1 UNL1111111111 0.0481 8 C 0.0704 1.6301 0.5656 C.2 1 UNL1111111111 -0.0301 9 C -0.9755 -0.6941 0.7438 C.3 1 UNL1111111111 -0.2586 10 C 2.5199 1.5010 0.8984 C.3 1 UNL1111111111 0.0871 11 C 2.1407 0.8135 2.2382 C.3 1 UNL1111111111 -0.1674 12 C -2.1874 -0.1229 0.1321 C.ar 1 UNL1111111111 -0.0786 13 C -1.1441 2.1894 -0.0327 C.ar 1 UNL1111111111 0.0345 14 C -2.1794 1.2675 -0.2136 C.ar 1 UNL1111111111 -0.1135 15 C 1.2870 2.1183 0.2991 C.2 1 UNL1111111111 -0.1753 16 C -3.4292 1.6072 -0.7923 C.ar 1 UNL1111111111 0.1249 17 C 0.8375 -0.9858 3.1944 C.3 1 UNL1111111111 -0.2768 18 C -3.4302 -0.5870 -0.2413 C.ar 1 UNL1111111111 0.0301 19 C -1.3847 3.4879 -0.4443 C.ar 1 UNL1111111111 -0.1935 20 C -3.6588 2.9279 -1.2096 C.ar 1 UNL1111111111 -0.2135 21 C -2.6297 3.8353 -1.0234 C.ar 1 UNL1111111111 -0.0968 22 C 4.4056 0.2691 -0.0660 C.2 1 UNL1111111111 0.7024 23 C 6.3136 -0.9724 -0.9548 C.3 1 UNL1111111111 -0.0494 24 C 4.0151 -1.6115 -1.6664 C.3 1 UNL1111111111 -0.0478 25 C 6.8621 -2.2865 -0.3851 C.3 1 UNL1111111111 -0.4545 26 C 3.6957 -0.7995 -2.9267 C.3 1 UNL1111111111 -0.4846 27 H -0.8125 0.8086 2.3360 H 1 UNL1111111111 0.1342 28 H -1.2120 -1.5132 1.4493 H 1 UNL1111111111 0.1574 29 H -0.3196 -1.1467 -0.0329 H 1 UNL1111111111 0.1747 30 H 3.3112 2.2781 1.0902 H 1 UNL1111111111 0.1767 31 H 3.0321 0.2845 2.6425 H 1 UNL1111111111 0.1562 32 H 1.8491 1.5810 2.9831 H 1 UNL1111111111 0.1284 33 H 1.4566 2.9534 -0.3745 H 1 UNL1111111111 0.1641 34 H 0.4935 -0.3995 4.0596 H 1 UNL1111111111 0.1214 35 H 1.7711 -1.5050 3.4710 H 1 UNL1111111111 0.1495 36 H 0.0895 -1.7666 2.9837 H 1 UNL1111111111 0.1463 37 H 2.3764 -0.2393 -0.2601 H 1 UNL1111111111 0.3198 38 H -0.6252 4.2565 -0.3255 H 1 UNL1111111111 0.1599 39 H -5.1243 0.3556 -1.1607 H 1 UNL1111111111 0.3223 40 H -4.6018 3.2205 -1.6562 H 1 UNL1111111111 0.1589 41 H -2.7738 4.8708 -1.3347 H 1 UNL1111111111 0.1493 42 H 6.5292 -0.8935 -2.0417 H 1 UNL1111111111 0.1219 43 H 6.8294 -0.1096 -0.4636 H 1 UNL1111111111 0.1715 44 H 4.5319 -2.5597 -1.9433 H 1 UNL1111111111 0.1429 45 H 3.0749 -1.9229 -1.1542 H 1 UNL1111111111 0.1379 46 H 6.6070 -2.3843 0.6788 H 1 UNL1111111111 0.1615 47 H 6.4515 -3.1606 -0.8990 H 1 UNL1111111111 0.1416 48 H 7.9527 -2.3226 -0.4718 H 1 UNL1111111111 0.1449 49 H 3.1801 0.1402 -2.6818 H 1 UNL1111111111 0.1701 50 H 4.6047 -0.5316 -3.4755 H 1 UNL1111111111 0.1497 51 H 3.0484 -1.3625 -3.6067 H 1 UNL1111111111 0.1511 @BOND 1 1 18 1 2 2 22 2 3 3 7 1 4 3 11 1 5 3 17 1 6 4 10 1 7 4 22 am 8 4 37 1 9 5 16 ar 10 5 18 ar 11 5 39 1 12 6 22 am 13 6 23 1 14 6 24 1 15 7 8 1 16 7 9 1 17 7 27 1 18 8 13 1 19 8 15 2 20 9 12 1 21 9 28 1 22 9 29 1 23 10 11 1 24 10 15 1 25 10 30 1 26 11 31 1 27 11 32 1 28 12 14 ar 29 12 18 ar 30 13 14 ar 31 13 19 ar 32 14 16 ar 33 15 33 1 34 16 20 ar 35 17 34 1 36 17 35 1 37 17 36 1 38 19 21 ar 39 19 38 1 40 20 21 ar 41 20 40 1 42 21 41 1 43 23 25 1 44 23 42 1 45 23 43 1 46 24 26 1 47 24 44 1 48 24 45 1 49 25 46 1 50 25 47 1 51 25 48 1 52 26 49 1 53 26 50 1 54 26 51 1