@MOLECULE 2-[(8beta)-6-propylergolin-8-yl]acetamide 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9101 3.1337 0.7357 O.2 1 UNL1111111111 -0.5425 2 N -1.4851 -1.5536 0.0853 N.3 1 UNL1111111111 -0.4568 3 N 4.4051 -0.3840 0.6403 N.ar 1 UNL1111111111 -0.3821 4 N -2.6619 3.0594 -1.1276 N.am 1 UNL1111111111 -0.7045 5 C -0.1138 0.4404 -0.2893 C.3 1 UNL1111111111 -0.1262 6 C -0.0863 -1.1148 -0.0961 C.3 1 UNL1111111111 0.0632 7 C -0.7652 1.1263 0.9202 C.3 1 UNL1111111111 -0.2858 8 C -2.1741 0.5721 1.1694 C.3 1 UNL1111111111 -0.0774 9 C -2.1096 -0.9691 1.2964 C.3 1 UNL1111111111 -0.1204 10 C 0.8911 -1.6014 1.0251 C.3 1 UNL1111111111 -0.3094 11 C 1.2723 0.9790 -0.4794 C.ar 1 UNL1111111111 0.0424 12 C 2.2234 -1.0156 0.7940 C.ar 1 UNL1111111111 -0.0844 13 C 2.3031 0.2218 0.0763 C.ar 1 UNL1111111111 -0.1225 14 C -1.6473 -3.0270 0.0632 C.3 1 UNL1111111111 -0.1074 15 C -3.1622 0.9521 0.0531 C.3 1 UNL1111111111 -0.3729 16 C 3.6679 0.6031 -0.0108 C.ar 1 UNL1111111111 0.1269 17 C 1.6226 2.1472 -1.1286 C.ar 1 UNL1111111111 -0.2297 18 C 3.5171 -1.3660 1.1267 C.ar 1 UNL1111111111 -0.0562 19 C -1.4014 -3.5547 -1.3638 C.3 1 UNL1111111111 -0.2611 20 C 4.0152 1.7920 -0.6723 C.ar 1 UNL1111111111 -0.2315 21 C 2.9813 2.5364 -1.2146 C.ar 1 UNL1111111111 -0.0913 22 C -3.2880 2.4504 -0.0516 C.2 1 UNL1111111111 0.6040 23 C -1.8002 -5.0252 -1.4590 C.3 1 UNL1111111111 -0.4424 24 H -0.7264 0.6403 -1.2030 H 1 UNL1111111111 0.1509 25 H 0.2773 -1.5549 -1.0632 H 1 UNL1111111111 0.1425 26 H -0.1356 0.9744 1.8191 H 1 UNL1111111111 0.1514 27 H -0.7957 2.2221 0.7684 H 1 UNL1111111111 0.1526 28 H -2.5580 0.9902 2.1343 H 1 UNL1111111111 0.1479 29 H -1.5753 -1.2421 2.2311 H 1 UNL1111111111 0.1170 30 H -3.1411 -1.3739 1.3883 H 1 UNL1111111111 0.1358 31 H 0.9251 -2.7072 1.0318 H 1 UNL1111111111 0.1494 32 H 0.5095 -1.2963 2.0215 H 1 UNL1111111111 0.1593 33 H -0.9871 -3.5498 0.7855 H 1 UNL1111111111 0.1131 34 H -2.6937 -3.2656 0.3587 H 1 UNL1111111111 0.1356 35 H -4.1643 0.5296 0.2798 H 1 UNL1111111111 0.1720 36 H -2.8572 0.4728 -0.8996 H 1 UNL1111111111 0.1800 37 H 0.8652 2.7817 -1.5764 H 1 UNL1111111111 0.1514 38 H 3.8871 -2.2177 1.6619 H 1 UNL1111111111 0.1666 39 H -1.9806 -2.9460 -2.0857 H 1 UNL1111111111 0.1518 40 H -0.3396 -3.4290 -1.6465 H 1 UNL1111111111 0.1402 41 H 5.3894 -0.3971 0.7499 H 1 UNL1111111111 0.3113 42 H 5.0469 2.1098 -0.7523 H 1 UNL1111111111 0.1557 43 H 3.2134 3.4669 -1.7337 H 1 UNL1111111111 0.1463 44 H -1.2283 -5.6451 -0.7596 H 1 UNL1111111111 0.1417 45 H -2.8637 -5.1707 -1.2390 H 1 UNL1111111111 0.1420 46 H -1.6204 -5.4180 -2.4666 H 1 UNL1111111111 0.1441 47 H -2.1091 2.5542 -1.7814 H 1 UNL1111111111 0.3025 48 H -2.7118 4.0506 -1.2399 H 1 UNL1111111111 0.3071 @BOND 1 1 22 2 2 2 6 1 3 2 9 1 4 2 14 1 5 3 16 ar 6 3 18 ar 7 3 41 1 8 4 22 am 9 4 47 1 10 4 48 1 11 5 6 1 12 5 7 1 13 5 11 1 14 5 24 1 15 6 10 1 16 6 25 1 17 7 8 1 18 7 26 1 19 7 27 1 20 8 9 1 21 8 15 1 22 8 28 1 23 9 29 1 24 9 30 1 25 10 12 1 26 10 31 1 27 10 32 1 28 11 13 ar 29 11 17 ar 30 12 13 ar 31 12 18 ar 32 13 16 ar 33 14 19 1 34 14 33 1 35 14 34 1 36 15 22 1 37 15 35 1 38 15 36 1 39 16 20 ar 40 17 21 ar 41 17 37 1 42 18 38 1 43 19 23 1 44 19 39 1 45 19 40 1 46 20 21 ar 47 20 42 1 48 21 43 1 49 23 44 1 50 23 45 1 51 23 46 1