@MOLECULE 2,9-dibutyl-1,10-phenanthroline 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.4098 -0.2074 0.5216 N.ar 1 UNL1111111111 -0.3504 2 N 1.3837 -0.2183 0.5282 N.ar 1 UNL1111111111 -0.3493 3 C -0.7482 -1.3284 0.1323 C.ar 1 UNL1111111111 0.1618 4 C 0.7121 -1.3358 0.1347 C.ar 1 UNL1111111111 0.1611 5 C -3.4189 1.0620 0.9603 C.3 1 UNL1111111111 -0.2879 6 C 3.4046 1.0276 0.9724 C.3 1 UNL1111111111 -0.2877 7 C -3.6727 1.9733 -0.2503 C.3 1 UNL1111111111 -0.2574 8 C 3.6755 1.9333 -0.2389 C.3 1 UNL1111111111 -0.2574 9 C -1.4361 -2.4986 -0.2651 C.ar 1 UNL1111111111 -0.0965 10 C 1.3899 -2.5128 -0.2599 C.ar 1 UNL1111111111 -0.0962 11 C -2.7417 -0.2023 0.5178 C.ar 1 UNL1111111111 0.2093 12 C 2.7154 -0.2296 0.5284 C.ar 1 UNL1111111111 0.2086 13 C -4.3349 3.2767 0.2110 C.3 1 UNL1111111111 -0.2504 14 C 4.4176 3.1959 0.2116 C.3 1 UNL1111111111 -0.2504 15 C -2.8483 -2.4727 -0.2686 C.ar 1 UNL1111111111 -0.0870 16 C 2.8018 -2.5011 -0.2584 C.ar 1 UNL1111111111 -0.0870 17 C -0.7065 -3.6692 -0.6541 C.ar 1 UNL1111111111 -0.1426 18 C 0.6500 -3.6759 -0.6514 C.ar 1 UNL1111111111 -0.1427 19 C -3.5076 -1.3292 0.1168 C.ar 1 UNL1111111111 -0.2494 20 C 3.4716 -1.3639 0.1291 C.ar 1 UNL1111111111 -0.2492 21 C -4.5548 4.2259 -0.9655 C.3 1 UNL1111111111 -0.4402 22 C 4.7195 4.1075 -0.9763 C.3 1 UNL1111111111 -0.4402 23 H -4.3674 0.8375 1.4818 H 1 UNL1111111111 0.1456 24 H -2.7827 1.5998 1.7013 H 1 UNL1111111111 0.1759 25 H 2.7744 1.5743 1.7110 H 1 UNL1111111111 0.1755 26 H 4.3492 0.7894 1.4977 H 1 UNL1111111111 0.1457 27 H -4.3046 1.4588 -0.9959 H 1 UNL1111111111 0.1353 28 H -2.7140 2.1917 -0.7626 H 1 UNL1111111111 0.1578 29 H 2.7159 2.2040 -0.7258 H 1 UNL1111111111 0.1576 30 H 4.2594 1.3912 -1.0029 H 1 UNL1111111111 0.1360 31 H -5.2986 3.0586 0.7082 H 1 UNL1111111111 0.1304 32 H -3.7039 3.7649 0.9784 H 1 UNL1111111111 0.1374 33 H 3.8097 3.7383 0.9605 H 1 UNL1111111111 0.1369 34 H 5.3569 2.9250 0.7287 H 1 UNL1111111111 0.1306 35 H -3.3981 -3.3626 -0.5762 H 1 UNL1111111111 0.1579 36 H 3.3433 -3.3962 -0.5642 H 1 UNL1111111111 0.1579 37 H -4.5920 -1.2710 0.1219 H 1 UNL1111111111 0.1662 38 H 4.5558 -1.3178 0.1375 H 1 UNL1111111111 0.1661 39 H -1.2755 -4.5527 -0.9461 H 1 UNL1111111111 0.1594 40 H 1.2112 -4.5650 -0.9418 H 1 UNL1111111111 0.1595 41 H -5.2025 3.7787 -1.7275 H 1 UNL1111111111 0.1414 42 H -3.6048 4.4810 -1.4542 H 1 UNL1111111111 0.1459 43 H -5.0244 5.1612 -0.6419 H 1 UNL1111111111 0.1375 44 H 3.7999 4.4225 -1.4824 H 1 UNL1111111111 0.1454 45 H 5.3498 3.6055 -1.7191 H 1 UNL1111111111 0.1417 46 H 5.2456 5.0156 -0.6596 H 1 UNL1111111111 0.1375 @BOND 1 1 3 ar 2 1 11 ar 3 2 4 ar 4 2 12 ar 5 3 4 ar 6 3 9 ar 7 4 10 ar 8 5 7 1 9 5 11 1 10 5 23 1 11 5 24 1 12 6 8 1 13 6 12 1 14 6 25 1 15 6 26 1 16 7 13 1 17 7 27 1 18 7 28 1 19 8 14 1 20 8 29 1 21 8 30 1 22 9 15 ar 23 9 17 ar 24 10 16 ar 25 10 18 ar 26 11 19 ar 27 12 20 ar 28 13 21 1 29 13 31 1 30 13 32 1 31 14 22 1 32 14 33 1 33 14 34 1 34 15 19 ar 35 15 35 1 36 16 20 ar 37 16 36 1 38 17 18 ar 39 17 39 1 40 18 40 1 41 19 37 1 42 20 38 1 43 21 41 1 44 21 42 1 45 21 43 1 46 22 44 1 47 22 45 1 48 22 46 1