@MOLECULE 1-cyano-2-{(1s)-1-[(4-~3~h)phenyl]ethyl}-3-(5-quinolinyl)guanidine 41 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 0.7237 1.0150 -0.7645 N.pl3 1 UNL1 -0.4966 2 N -1.0589 -0.4641 -1.2207 N.pl3 1 UNL1 -0.5196 3 N 5.0349 -0.5504 0.9320 N.ar 1 UNL1 -0.3783 4 N -1.4335 1.7670 -0.2470 N.pl3 1 UNL1 -0.5538 5 N -1.8879 3.7278 -1.7582 N.1 1 UNL1 -0.2600 6 C -2.4625 -0.8546 -1.2761 C.3 1 UNL1 0.0888 7 C -3.1353 -0.7577 0.0779 C.ar 1 UNL1 -0.0806 8 C 1.7547 0.0421 -0.7340 C.ar 1 UNL1 0.2051 9 C 2.8630 0.2574 0.1515 C.ar 1 UNL1 -0.1512 10 C -2.4991 -2.3134 -1.7645 C.3 1 UNL1 -0.4310 11 C 3.9268 -0.6832 0.1251 C.ar 1 UNL1 0.1823 12 C -0.6289 0.6661 -0.7903 C.cat 1 UNL1 0.5341 13 C 1.7301 -1.0550 -1.5701 C.ar 1 UNL1 -0.1937 14 C -4.3937 -0.1670 0.1878 C.ar 1 UNL1 -0.1795 15 C -2.4947 -1.2549 1.2142 C.ar 1 UNL1 -0.1472 16 C 2.9668 1.3370 1.0699 C.ar 1 UNL1 -0.0765 17 C 3.8761 -1.8114 -0.7421 C.ar 1 UNL1 -0.1885 18 C 2.7942 -1.9844 -1.5640 C.ar 1 UNL1 -0.0960 19 C -5.0030 -0.0605 1.4367 C.ar 1 UNL1 -0.1395 20 C -3.1025 -1.1412 2.4613 C.ar 1 UNL1 -0.1424 21 C 4.0745 1.4540 1.8683 C.ar 1 UNL1 -0.2453 22 C -4.3558 -0.5406 2.5737 C.ar 1 UNL1 -0.1434 23 C 5.1057 0.4744 1.7597 C.ar 1 UNL1 0.0739 24 C -1.7075 2.7955 -1.0905 C.1 1 UNL1 0.2349 25 H -2.9996 -0.2089 -2.0270 H 1 UNL1 0.1426 26 H -3.5246 -2.6950 -1.7826 H 1 UNL1 0.1487 27 H -2.0750 -2.3986 -2.7728 H 1 UNL1 0.1604 28 H -1.9039 -2.9645 -1.1107 H 1 UNL1 0.1631 29 H 0.9407 1.9302 -0.3671 H 1 UNL1 0.3268 30 H 0.8871 -1.2245 -2.2474 H 1 UNL1 0.2011 31 H -4.9080 0.2041 -0.6973 H 1 UNL1 0.1565 32 H -1.5167 -1.7316 1.1205 H 1 UNL1 0.1715 33 H 2.1612 2.0677 1.1480 H 1 UNL1 0.1535 34 H 4.7107 -2.5123 -0.7251 H 1 UNL1 0.1771 35 H 2.7367 -2.8432 -2.2344 H 1 UNL1 0.1583 36 H -5.9870 0.3983 1.5230 H 1 UNL1 0.1558 37 H -2.5980 -1.5232 3.3477 H 1 UNL1 0.1563 38 H 4.1854 2.2674 2.5794 H 1 UNL1 0.1687 39 H -4.8302 -0.4495 3.5494 H 1 UNL1 0.1538 40 H 6.0084 0.5452 2.3803 H 1 UNL1 0.1721 41 H -2.2056 1.4731 0.3689 H 1 UNL1 0.3378 @BOND 1 27 10 1 2 30 13 1 3 35 18 1 4 25 6 1 5 26 10 1 6 10 6 1 7 10 28 1 8 5 24 3 9 13 18 ar 10 13 8 ar 11 18 17 ar 12 6 2 1 13 6 7 1 14 2 12 2 15 24 4 1 16 12 1 1 17 12 4 1 18 1 8 1 19 1 29 1 20 17 34 1 21 17 11 ar 22 8 9 ar 23 31 14 1 24 4 41 1 25 7 14 ar 26 7 15 ar 27 11 9 ar 28 11 3 ar 29 9 16 ar 30 14 19 ar 31 3 23 ar 32 16 33 1 33 16 21 ar 34 32 15 1 35 15 20 ar 36 19 36 1 37 19 22 ar 38 23 21 ar 39 23 40 1 40 21 38 1 41 20 22 ar 42 20 37 1 43 22 39 1