@MOLECULE bathophenanthroline 42 46 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.3827 3.0797 0.0040 N.ar 1 UNL111111111 -0.3235 2 N 1.4060 3.0818 0.0014 N.ar 1 UNL111111111 -0.3238 3 C -1.4031 0.6515 -0.0040 C.ar 1 UNL111111111 -0.0847 4 C 1.4226 0.6521 -0.0036 C.ar 1 UNL111111111 -0.0849 5 C -0.7184 1.8895 -0.0006 C.ar 1 UNL111111111 0.1528 6 C 0.7417 1.8924 -0.0012 C.ar 1 UNL111111111 0.1532 7 C -2.8193 0.6741 -0.0036 C.ar 1 UNL111111111 0.0394 8 C 2.8390 0.6768 -0.0012 C.ar 1 UNL111111111 0.0392 9 C -0.6687 -0.5803 -0.0070 C.ar 1 UNL111111111 -0.1382 10 C 0.6862 -0.5783 -0.0071 C.ar 1 UNL111111111 -0.1391 11 C -3.5786 -0.5841 -0.0027 C.ar 1 UNL111111111 -0.0297 12 C 3.5904 -0.5855 -0.0002 C.ar 1 UNL111111111 -0.0301 13 C -3.4797 1.8871 -0.0014 C.ar 1 UNL111111111 -0.2405 14 C 3.4999 1.8882 0.0014 C.ar 1 UNL111111111 -0.2404 15 C -2.7110 3.0748 0.0031 C.ar 1 UNL111111111 0.0595 16 C 2.7346 3.0784 0.0024 C.ar 1 UNL111111111 0.0604 17 C -3.9416 -1.1759 -1.2129 C.ar 1 UNL111111111 -0.1466 18 C 3.9344 -1.1849 1.2124 C.ar 1 UNL111111111 -0.1465 19 C -3.9391 -1.1710 1.2117 C.ar 1 UNL111111111 -0.1466 20 C 3.9389 -1.1856 -1.2113 C.ar 1 UNL111111111 -0.1466 21 C -4.6821 -2.3550 -1.2055 C.ar 1 UNL111111111 -0.1410 22 C 4.6352 -2.3884 1.2101 C.ar 1 UNL111111111 -0.1410 23 C -4.6774 -2.3517 1.2121 C.ar 1 UNL111111111 -0.1408 24 C 4.6417 -2.3880 -1.2062 C.ar 1 UNL111111111 -0.1409 25 C -5.0519 -2.9405 0.0047 C.ar 1 UNL111111111 -0.1483 26 C 4.9900 -2.9882 0.0030 C.ar 1 UNL111111111 -0.1482 27 H -1.2330 -1.5162 -0.0092 H 1 UNL111111111 0.1721 28 H 1.2510 -1.5132 -0.0101 H 1 UNL111111111 0.1720 29 H -4.5651 1.9401 -0.0022 H 1 UNL111111111 0.1715 30 H 4.5848 1.9383 0.0030 H 1 UNL111111111 0.1714 31 H -3.1988 4.0579 0.0061 H 1 UNL111111111 0.1744 32 H 3.2197 4.0630 0.0051 H 1 UNL111111111 0.1747 33 H -3.6473 -0.7179 -2.1559 H 1 UNL111111111 0.1605 34 H 3.6505 -0.7146 2.1527 H 1 UNL111111111 0.1605 35 H -3.6440 -0.7067 2.1502 H 1 UNL111111111 0.1603 36 H 3.6585 -0.7153 -2.1526 H 1 UNL111111111 0.1604 37 H -4.9728 -2.8195 -2.1457 H 1 UNL111111111 0.1506 38 H 4.9044 -2.8603 2.1528 H 1 UNL111111111 0.1506 39 H -4.9621 -2.8139 2.1563 H 1 UNL111111111 0.1508 40 H 4.9183 -2.8585 -2.1477 H 1 UNL111111111 0.1507 41 H -5.6347 -3.8589 0.0070 H 1 UNL111111111 0.1480 42 H 5.5387 -3.9276 0.0042 H 1 UNL111111111 0.1482 @BOND 1 1 5 ar 2 1 15 ar 3 2 6 ar 4 2 16 ar 5 3 5 ar 6 3 7 ar 7 3 9 ar 8 4 6 ar 9 4 8 ar 10 4 10 ar 11 5 6 ar 12 7 11 1 13 7 13 ar 14 8 12 1 15 8 14 ar 16 9 10 ar 17 9 27 1 18 10 28 1 19 11 17 ar 20 11 19 ar 21 12 18 ar 22 12 20 ar 23 13 15 ar 24 13 29 1 25 14 16 ar 26 14 30 1 27 15 31 1 28 16 32 1 29 17 21 ar 30 17 33 1 31 18 22 ar 32 18 34 1 33 19 23 ar 34 19 35 1 35 20 24 ar 36 20 36 1 37 21 25 ar 38 21 37 1 39 22 26 ar 40 22 38 1 41 23 25 ar 42 23 39 1 43 24 26 ar 44 24 40 1 45 25 41 1 46 26 42 1