@MOLECULE bathocuproine 48 52 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.3869 -2.7389 -0.0099 N.ar 1 UNL1111111111 -0.3611 2 N 1.4101 -2.7365 0.0174 N.ar 1 UNL1111111111 -0.3616 3 C -1.4045 -0.3125 -0.0151 C.ar 1 UNL1111111111 -0.0985 4 C 1.4170 -0.3100 0.0086 C.ar 1 UNL1111111111 -0.0991 5 C -0.7221 -1.5516 -0.0053 C.ar 1 UNL1111111111 0.1674 6 C 0.7400 -1.5514 0.0094 C.ar 1 UNL1111111111 0.1681 7 C -2.8225 -0.3326 -0.0241 C.ar 1 UNL1111111111 0.0465 8 C 2.8334 -0.3278 0.0209 C.ar 1 UNL1111111111 0.0459 9 C -0.6729 0.9187 -0.0180 C.ar 1 UNL1111111111 -0.1375 10 C 0.6826 0.9202 -0.0061 C.ar 1 UNL1111111111 -0.1373 11 C -3.4841 -1.5412 -0.0328 C.ar 1 UNL1111111111 -0.2673 12 C 3.5019 -1.5331 0.0353 C.ar 1 UNL1111111111 -0.2670 13 C -3.5737 0.9317 -0.0107 C.ar 1 UNL1111111111 -0.0265 14 C 3.5775 0.9400 0.0082 C.ar 1 UNL1111111111 -0.0267 15 C -2.7198 -2.7382 -0.0258 C.ar 1 UNL1111111111 0.2384 16 C 2.7430 -2.7325 0.0289 C.ar 1 UNL1111111111 0.2390 17 C -3.4045 -4.0647 -0.0321 C.3 1 UNL1111111111 -0.4513 18 C 3.4295 -4.0589 0.0245 C.3 1 UNL1111111111 -0.4512 19 C -3.9470 1.4972 1.2112 C.ar 1 UNL1111111111 -0.1456 20 C 3.9348 1.5187 -1.2111 C.ar 1 UNL1111111111 -0.1456 21 C -3.9060 1.5649 -1.2096 C.ar 1 UNL1111111111 -0.1455 22 C 3.9034 1.5680 1.2117 C.ar 1 UNL1111111111 -0.1455 23 C -4.6691 2.6854 1.2308 C.ar 1 UNL1111111111 -0.1422 24 C 4.6288 2.7270 -1.2238 C.ar 1 UNL1111111111 -0.1418 25 C -4.6291 2.7558 -1.1839 C.ar 1 UNL1111111111 -0.1422 26 C 4.5966 2.7756 1.1921 C.ar 1 UNL1111111111 -0.1419 27 C -5.0145 3.3131 0.0349 C.ar 1 UNL1111111111 -0.1499 28 C 4.9607 3.3538 -0.0236 C.ar 1 UNL1111111111 -0.1503 29 H -1.2368 1.8531 -0.0324 H 1 UNL1111111111 0.1691 30 H 1.2454 1.8555 -0.0094 H 1 UNL1111111111 0.1692 31 H -4.5692 -1.5942 -0.0429 H 1 UNL1111111111 0.1729 32 H 4.5857 -1.5778 0.0481 H 1 UNL1111111111 0.1727 33 H -4.0310 -4.1883 -0.9263 H 1 UNL1111111111 0.1612 34 H -2.6764 -4.8958 -0.0276 H 1 UNL1111111111 0.1836 35 H -4.0432 -4.1881 0.8537 H 1 UNL1111111111 0.1613 36 H 2.7013 -4.8898 0.0044 H 1 UNL1111111111 0.1836 37 H 4.0741 -4.1730 -0.8588 H 1 UNL1111111111 0.1612 38 H 4.0498 -4.1964 0.9214 H 1 UNL1111111111 0.1614 39 H -3.6714 1.0036 2.1438 H 1 UNL1111111111 0.1604 40 H 3.6671 1.0285 -2.1458 H 1 UNL1111111111 0.1602 41 H -3.6024 1.1278 -2.1600 H 1 UNL1111111111 0.1603 42 H 3.6105 1.1160 2.1579 H 1 UNL1111111111 0.1605 43 H -4.9665 3.1235 2.1816 H 1 UNL1111111111 0.1496 44 H 4.9098 3.1809 -2.1717 H 1 UNL1111111111 0.1495 45 H -4.8932 3.2494 -2.1164 H 1 UNL1111111111 0.1494 46 H 4.8530 3.2679 2.1275 H 1 UNL1111111111 0.1495 47 H -5.5850 4.2390 0.0526 H 1 UNL1111111111 0.1474 48 H 5.5031 4.2961 -0.0358 H 1 UNL1111111111 0.1474 @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 ar 13 7 13 1 14 8 12 ar 15 8 14 1 16 9 10 ar 17 9 29 1 18 10 30 1 19 11 15 ar 20 11 31 1 21 12 16 ar 22 12 32 1 23 13 19 ar 24 13 21 ar 25 14 20 ar 26 14 22 ar 27 15 17 1 28 16 18 1 29 17 33 1 30 17 34 1 31 17 35 1 32 18 36 1 33 18 37 1 34 18 38 1 35 19 23 ar 36 19 39 1 37 20 24 ar 38 20 40 1 39 21 25 ar 40 21 41 1 41 22 26 ar 42 22 42 1 43 23 27 ar 44 23 43 1 45 24 28 ar 46 24 44 1 47 25 27 ar 48 25 45 1 49 26 28 ar 50 26 46 1 51 27 47 1 52 28 48 1