@MOLECULE 2-chloro-6-methylergoline-8b-acetonitrile 39 42 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.8117 1.8522 1.1172 Cl 1 UNL11111111 -0.0211 2 N 1.6440 1.8951 -1.3007 N.3 1 UNL11111111 -0.4219 3 N -3.4861 -0.7387 0.5111 N.ar 1 UNL11111111 -0.3888 4 N 5.3069 -1.8666 1.3426 N.1 1 UNL11111111 -0.2683 5 C 0.9635 -0.4372 -0.9598 C.3 1 UNL11111111 -0.1305 6 C 0.4523 1.0335 -1.1466 C.3 1 UNL11111111 0.0614 7 C 1.9088 -0.5396 0.2478 C.3 1 UNL11111111 -0.2835 8 C 3.0726 0.4404 0.0612 C.3 1 UNL11111111 -0.0941 9 C -0.5420 1.5184 -0.0396 C.3 1 UNL11111111 -0.3049 10 C 2.5259 1.8756 -0.1119 C.3 1 UNL11111111 -0.1224 11 C -0.1802 -1.3871 -0.7685 C.ar 1 UNL11111111 0.0467 12 C -1.3502 -0.8387 -0.2431 C.ar 1 UNL11111111 -0.1195 13 C -1.6127 0.5233 0.1164 C.ar 1 UNL11111111 -0.0840 14 C 4.0268 0.3969 1.2734 C.3 1 UNL11111111 -0.2891 15 C 1.2874 3.2801 -1.6696 C.3 1 UNL11111111 -0.2738 16 C -2.5172 -1.6092 0.0060 C.ar 1 UNL11111111 0.1345 17 C -0.1844 -2.7429 -1.0372 C.ar 1 UNL11111111 -0.2145 18 C -2.9148 0.5458 0.5635 C.ar 1 UNL11111111 0.0548 19 C -2.5116 -2.9850 -0.2688 C.ar 1 UNL11111111 -0.2264 20 C -1.3415 -3.5185 -0.7833 C.ar 1 UNL11111111 -0.0853 21 C 4.7370 -0.8601 1.3162 C.1 1 UNL11111111 0.1241 22 H 1.5303 -0.7030 -1.8901 H 1 UNL11111111 0.1656 23 H -0.0996 1.0645 -2.1254 H 1 UNL11111111 0.1460 24 H 1.3547 -0.3274 1.1813 H 1 UNL11111111 0.1509 25 H 2.2831 -1.5771 0.3478 H 1 UNL11111111 0.1533 26 H 3.6364 0.1670 -0.8659 H 1 UNL11111111 0.1611 27 H -0.9432 2.5142 -0.3109 H 1 UNL11111111 0.1559 28 H -0.0055 1.6559 0.9226 H 1 UNL11111111 0.1607 29 H 2.0194 2.2134 0.8164 H 1 UNL11111111 0.1184 30 H 3.3674 2.5781 -0.2973 H 1 UNL11111111 0.1358 31 H 3.4547 0.5558 2.2183 H 1 UNL11111111 0.1798 32 H 4.7505 1.2443 1.2196 H 1 UNL11111111 0.1746 33 H 0.6115 3.2650 -2.5411 H 1 UNL11111111 0.1492 34 H 2.2053 3.8059 -1.9840 H 1 UNL11111111 0.1447 35 H 0.8103 3.8627 -0.8678 H 1 UNL11111111 0.1200 36 H 0.6969 -3.2293 -1.4457 H 1 UNL11111111 0.1594 37 H -4.4131 -0.9746 0.7786 H 1 UNL11111111 0.3237 38 H -3.3846 -3.5992 -0.0861 H 1 UNL11111111 0.1591 39 H -1.2998 -4.5851 -1.0086 H 1 UNL11111111 0.1484 @BOND 1 1 18 1 2 2 6 1 3 2 10 1 4 2 15 1 5 3 16 ar 6 3 18 ar 7 3 37 1 8 4 21 3 9 5 6 1 10 5 7 1 11 5 11 1 12 5 22 1 13 6 9 1 14 6 23 1 15 7 8 1 16 7 24 1 17 7 25 1 18 8 10 1 19 8 14 1 20 8 26 1 21 9 13 1 22 9 27 1 23 9 28 1 24 10 29 1 25 10 30 1 26 11 12 ar 27 11 17 ar 28 12 13 ar 29 12 16 ar 30 13 18 ar 31 14 21 1 32 14 31 1 33 14 32 1 34 15 33 1 35 15 34 1 36 15 35 1 37 16 19 ar 38 17 20 ar 39 17 36 1 40 19 20 ar 41 19 38 1 42 20 39 1