@MOLECULE (8beta)-6-methyl-9,10-didehydro-2,3-dihydroergoline-8-carboxamide 39 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8410 -1.8736 0.7398 O.2 1 UNL1111111111 -0.5103 2 N -1.5378 1.9298 -0.0434 N.3 1 UNL1111111111 -0.4137 3 N 4.3568 0.4383 -0.2823 N.pl3 1 UNL1111111111 -0.5203 4 N -4.9961 -0.8694 -0.9022 N.am 1 UNL1111111111 -0.7056 5 C 2.1912 1.4028 0.2176 C.3 1 UNL1111111111 -0.1277 6 C -0.2701 1.2704 0.3798 C.3 1 UNL1111111111 0.0485 7 C 0.9046 1.9274 -0.4114 C.3 1 UNL1111111111 -0.2905 8 C 2.1503 -0.0924 0.1878 C.ar 1 UNL1111111111 -0.1271 9 C -0.2772 -0.2321 0.1347 C.2 1 UNL1111111111 -0.0496 10 C 1.0261 -0.8913 0.2528 C.ar 1 UNL1111111111 0.0300 11 C 3.5566 1.6964 -0.4769 C.3 1 UNL1111111111 -0.0953 12 C -2.7213 1.1100 0.3137 C.3 1 UNL1111111111 -0.1104 13 C 3.4372 -0.6134 -0.0598 C.ar 1 UNL1111111111 0.1956 14 C -2.6570 -0.1861 -0.5220 C.3 1 UNL1111111111 -0.2097 15 C -1.3753 -0.8992 -0.2464 C.2 1 UNL1111111111 -0.1318 16 C 1.2351 -2.2817 0.2893 C.ar 1 UNL1111111111 -0.2118 17 C -1.6670 3.2677 0.5786 C.3 1 UNL1111111111 -0.2808 18 C 3.6416 -1.9873 -0.0466 C.ar 1 UNL1111111111 -0.2641 19 C 2.5210 -2.8023 0.1698 C.ar 1 UNL1111111111 -0.0864 20 C -3.8448 -1.0567 -0.1551 C.2 1 UNL1111111111 0.5791 21 H 2.2564 1.7594 1.2772 H 1 UNL1111111111 0.1586 22 H -0.0916 1.4203 1.4815 H 1 UNL1111111111 0.1319 23 H 0.8496 3.0263 -0.3699 H 1 UNL1111111111 0.1447 24 H 0.8261 1.6590 -1.4805 H 1 UNL1111111111 0.1620 25 H 3.4242 1.9442 -1.5450 H 1 UNL1111111111 0.1264 26 H 4.0982 2.5252 0.0153 H 1 UNL1111111111 0.1472 27 H -3.6384 1.6838 0.0630 H 1 UNL1111111111 0.1379 28 H -2.7713 0.8608 1.3969 H 1 UNL1111111111 0.1380 29 H -2.6722 0.0843 -1.6124 H 1 UNL1111111111 0.1816 30 H -1.3898 -1.9786 -0.3928 H 1 UNL1111111111 0.1697 31 H 5.0843 0.2786 -0.9594 H 1 UNL1111111111 0.2834 32 H 0.3873 -2.9522 0.4068 H 1 UNL1111111111 0.1635 33 H -0.8149 3.8979 0.2754 H 1 UNL1111111111 0.1473 34 H -1.7165 3.2561 1.6779 H 1 UNL1111111111 0.1236 35 H -2.5755 3.7568 0.1902 H 1 UNL1111111111 0.1444 36 H 4.6228 -2.4181 -0.1986 H 1 UNL1111111111 0.1601 37 H 2.6627 -3.8826 0.2169 H 1 UNL1111111111 0.1489 38 H -5.8137 -1.4089 -0.6995 H 1 UNL1111111111 0.3111 39 H -5.0630 -0.2123 -1.6443 H 1 UNL1111111111 0.3018 @BOND 1 1 20 2 2 2 6 1 3 2 12 1 4 2 17 1 5 3 11 1 6 3 13 1 7 3 31 1 8 4 20 am 9 4 38 1 10 4 39 1 11 5 7 1 12 5 8 1 13 5 11 1 14 5 21 1 15 6 7 1 16 6 9 1 17 6 22 1 18 7 23 1 19 7 24 1 20 8 10 ar 21 8 13 ar 22 9 10 1 23 9 15 2 24 10 16 ar 25 11 25 1 26 11 26 1 27 12 14 1 28 12 27 1 29 12 28 1 30 13 18 ar 31 14 15 1 32 14 20 1 33 14 29 1 34 15 30 1 35 16 19 ar 36 16 32 1 37 17 33 1 38 17 34 1 39 17 35 1 40 18 19 ar 41 18 36 1 42 19 37 1