@MOLECULE sgd 101-75 29 31 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.0450 -0.6292 0.2822 N.pl3 1 UNL1111111111 -0.4975 2 N 3.2478 -1.5752 0.1490 N.pl3 1 UNL1111111111 -0.5780 3 N -3.2786 -1.1139 -0.0754 N.ar 1 UNL1111111111 0.0101 4 N 3.0108 0.7171 -0.2298 N.2 1 UNL1111111111 -0.5066 5 N -3.5763 0.2007 -0.0944 N.ar 1 UNL1111111111 -0.3099 6 C -1.2972 -0.1099 0.0525 C.ar 1 UNL1111111111 -0.1920 7 C 0.0450 0.3590 0.1387 C.ar 1 UNL1111111111 0.2403 8 C 4.6356 -1.0700 -0.0495 C.3 1 UNL1111111111 -0.1387 9 C 2.3999 -0.4012 0.0583 C.cat 1 UNL1111111111 0.4908 10 C -2.3722 0.8567 -0.0171 C.ar 1 UNL1111111111 0.1151 11 C 4.4573 0.4655 -0.3051 C.3 1 UNL1111111111 -0.1117 12 C -1.9342 -1.3694 0.0118 C.ar 1 UNL1111111111 -0.1447 13 C 0.2726 1.7172 0.1495 C.ar 1 UNL1111111111 -0.2540 14 C -2.1104 2.2480 -0.0032 C.ar 1 UNL1111111111 -0.2068 15 C -0.8029 2.6456 0.0792 C.ar 1 UNL1111111111 -0.0714 16 C -4.3509 -2.0907 -0.1449 C.3 1 UNL1111111111 -0.2510 17 H 5.0584 -1.5815 -0.9372 H 1 UNL1111111111 0.1563 18 H 5.2889 -1.2772 0.8130 H 1 UNL1111111111 0.1309 19 H 4.9829 1.0864 0.4448 H 1 UNL1111111111 0.1472 20 H 4.8255 0.7621 -1.3070 H 1 UNL1111111111 0.1555 21 H 0.7388 -1.5920 0.1472 H 1 UNL1111111111 0.3157 22 H 3.1215 -2.1554 0.9682 H 1 UNL1111111111 0.2861 23 H -1.5201 -2.3543 0.0402 H 1 UNL1111111111 0.1743 24 H 1.2883 2.1191 0.2042 H 1 UNL1111111111 0.2041 25 H -2.9385 2.9470 -0.0585 H 1 UNL1111111111 0.1680 26 H -0.5503 3.7073 0.0913 H 1 UNL1111111111 0.1536 27 H -4.3652 -2.7183 0.7658 H 1 UNL1111111111 0.1628 28 H -5.3367 -1.5842 -0.2250 H 1 UNL1111111111 0.1881 29 H -4.2293 -2.7393 -1.0325 H 1 UNL1111111111 0.1632 @BOND 1 1 7 1 2 1 9 1 3 1 21 1 4 2 8 1 5 2 9 1 6 2 22 1 7 3 5 ar 8 3 12 ar 9 3 16 1 10 4 9 2 11 4 11 1 12 5 10 ar 13 6 7 ar 14 6 10 ar 15 6 12 ar 16 7 13 ar 17 8 11 1 18 8 17 1 19 8 18 1 20 10 14 ar 21 11 19 1 22 11 20 1 23 12 23 1 24 13 15 ar 25 13 24 1 26 14 15 ar 27 14 25 1 28 15 26 1 29 16 27 1 30 16 28 1 31 16 29 1