@MOLECULE 1-(3-isoquinolinyl)-9h-beta-carboline 36 40 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.6457 0.9643 0.0063 N.ar 1 UNL1111111111 -0.3829 2 N -0.0764 -2.4086 -0.0134 N.ar 1 UNL1111111111 -0.3468 3 N 1.1578 1.0115 -0.0232 N.ar 1 UNL1111111111 -0.4149 4 C -1.3445 -0.3939 -0.0003 C.ar 1 UNL1111111111 0.0953 5 C -2.5682 -1.1537 -0.0012 C.ar 1 UNL1111111111 -0.0414 6 C -3.6423 -0.1916 0.0035 C.ar 1 UNL1111111111 -0.1194 7 C -3.0330 1.1072 0.0058 C.ar 1 UNL1111111111 0.1760 8 C -0.1034 -1.0612 -0.0061 C.ar 1 UNL1111111111 0.0942 9 C 1.1981 -0.3683 -0.0053 C.ar 1 UNL1111111111 0.1638 10 C -2.4996 -2.5370 -0.0075 C.ar 1 UNL1111111111 -0.1735 11 C -5.0294 -0.3014 0.0052 C.ar 1 UNL1111111111 -0.0748 12 C -3.7999 2.2765 0.0093 C.ar 1 UNL1111111111 -0.2334 13 C 2.3934 -1.0618 0.0111 C.ar 1 UNL1111111111 -0.1935 14 C 3.6187 -0.3468 0.0099 C.ar 1 UNL1111111111 0.0431 15 C -1.2232 -3.1151 -0.0139 C.ar 1 UNL1111111111 -0.0020 16 C 3.5754 1.0643 -0.0107 C.ar 1 UNL1111111111 -0.1018 17 C -5.7872 0.8622 0.0084 C.ar 1 UNL1111111111 -0.2129 18 C -5.1790 2.1295 0.0105 C.ar 1 UNL1111111111 -0.0849 19 C 2.2889 1.6892 -0.0268 C.ar 1 UNL1111111111 0.0757 20 C 4.8812 -1.0015 0.0276 C.ar 1 UNL1111111111 -0.1622 21 C 4.7829 1.8071 -0.0141 C.ar 1 UNL1111111111 -0.1292 22 C 6.0368 -0.2637 0.0239 C.ar 1 UNL1111111111 -0.1217 23 C 5.9891 1.1539 0.0028 C.ar 1 UNL1111111111 -0.1553 24 H -0.9447 1.6835 -0.0041 H 1 UNL1111111111 0.3544 25 H -3.3957 -3.1487 -0.0082 H 1 UNL1111111111 0.1660 26 H -5.5024 -1.2808 0.0038 H 1 UNL1111111111 0.1531 27 H -3.3314 3.2541 0.0111 H 1 UNL1111111111 0.1634 28 H 2.3983 -2.1549 0.0247 H 1 UNL1111111111 0.1983 29 H -1.0935 -4.2028 -0.0200 H 1 UNL1111111111 0.1712 30 H -6.8727 0.7993 0.0095 H 1 UNL1111111111 0.1517 31 H -5.8130 3.0162 0.0129 H 1 UNL1111111111 0.1465 32 H 2.2089 2.7839 -0.0427 H 1 UNL1111111111 0.1713 33 H 4.9063 -2.0904 0.0443 H 1 UNL1111111111 0.1638 34 H 4.7344 2.8948 -0.0303 H 1 UNL1111111111 0.1540 35 H 7.0103 -0.7532 0.0372 H 1 UNL1111111111 0.1539 36 H 6.9250 1.7102 0.0004 H 1 UNL1111111111 0.1552 @BOND 1 1 4 ar 2 1 7 ar 3 1 24 1 4 2 8 ar 5 2 15 ar 6 3 9 ar 7 3 19 ar 8 4 5 ar 9 4 8 ar 10 5 6 ar 11 5 10 ar 12 6 7 ar 13 6 11 ar 14 7 12 ar 15 8 9 1 16 9 13 ar 17 10 15 ar 18 10 25 1 19 11 17 ar 20 11 26 1 21 12 18 ar 22 12 27 1 23 13 14 ar 24 13 28 1 25 14 16 ar 26 14 20 ar 27 15 29 1 28 16 19 ar 29 16 21 ar 30 17 18 ar 31 17 30 1 32 18 31 1 33 19 32 1 34 20 22 ar 35 20 33 1 36 21 23 ar 37 21 34 1 38 22 23 ar 39 22 35 1 40 23 36 1