@MOLECULE sb 334867 37 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9718 1.2958 0.0033 O.2 1 UNL111111111111 -0.2647 2 O -0.0794 1.2116 0.0022 O.2 1 UNL111111111111 -0.4911 3 N -0.6390 -1.0372 0.0069 N.am 1 UNL111111111111 -0.5697 4 N 1.5894 -0.3805 0.0048 N.am 1 UNL111111111111 -0.5657 5 N -6.1910 -0.6306 -0.0069 N.ar 1 UNL111111111111 -0.3970 6 N 4.0671 -1.5470 0.0029 N.ar 1 UNL111111111111 -0.3746 7 N 5.0751 2.0150 -0.0056 N.ar 1 UNL111111111111 -0.3996 8 C -4.0795 0.2503 0.0022 C.ar 1 UNL111111111111 0.1518 9 C -2.0438 -0.9200 0.0034 C.ar 1 UNL111111111111 0.2669 10 C -4.8196 -0.9670 -0.0044 C.ar 1 UNL111111111111 -0.0102 11 C -2.7009 0.3171 0.0064 C.ar 1 UNL111111111111 -0.2698 12 C 2.6931 0.4718 0.0018 C.ar 1 UNL111111111111 0.2851 13 C -2.7596 -2.1463 -0.0036 C.ar 1 UNL111111111111 -0.2881 14 C -4.1477 -2.1828 -0.0074 C.ar 1 UNL111111111111 -0.0506 15 C 3.9899 -0.1762 0.0001 C.ar 1 UNL111111111111 -0.0160 16 C 5.1457 0.6456 -0.0037 C.ar 1 UNL111111111111 0.1209 17 C -6.2468 0.6783 -0.0019 C.ar 1 UNL111111111111 0.3377 18 C 0.2477 0.0491 0.0049 C.2 1 UNL111111111111 0.7327 19 C 2.6547 1.8515 0.0004 C.ar 1 UNL111111111111 -0.3309 20 C 6.4217 0.0026 -0.0044 C.ar 1 UNL111111111111 -0.0887 21 C 3.8755 2.5773 -0.0037 C.ar 1 UNL111111111111 0.1137 22 C -7.3691 1.6183 -0.0003 C.3 1 UNL111111111111 -0.4467 23 C 6.4764 -1.3646 -0.0020 C.ar 1 UNL111111111111 -0.2156 24 C 5.2594 -2.1130 0.0026 C.ar 1 UNL111111111111 0.0555 25 H -2.1782 1.2747 0.0119 H 1 UNL111111111111 0.2217 26 H -2.2120 -3.0865 -0.0065 H 1 UNL111111111111 0.1641 27 H -4.6969 -3.1234 -0.0132 H 1 UNL111111111111 0.1730 28 H -0.2673 -1.9832 0.0094 H 1 UNL111111111111 0.3190 29 H 1.8170 -1.3814 0.0043 H 1 UNL111111111111 0.3439 30 H 1.7106 2.4023 0.0023 H 1 UNL111111111111 0.2188 31 H 7.3166 0.6292 -0.0081 H 1 UNL111111111111 0.1847 32 H 3.8579 3.6777 -0.0053 H 1 UNL111111111111 0.1806 33 H -7.3456 2.2844 -0.8815 H 1 UNL111111111111 0.1846 34 H -8.3391 1.0872 -0.0121 H 1 UNL111111111111 0.1909 35 H -7.3578 2.2663 0.8946 H 1 UNL111111111111 0.1846 36 H 7.4247 -1.8980 -0.0028 H 1 UNL111111111111 0.1727 37 H 5.2832 -3.2106 0.0056 H 1 UNL111111111111 0.1762 @BOND 1 1 8 ar 2 1 17 ar 3 2 18 2 4 3 9 1 5 3 18 am 6 3 28 1 7 4 12 1 8 4 18 am 9 4 29 1 10 5 10 ar 11 5 17 ar 12 6 15 ar 13 6 24 ar 14 7 16 ar 15 7 21 ar 16 8 10 ar 17 8 11 ar 18 9 11 ar 19 9 13 ar 20 10 14 ar 21 11 25 1 22 12 15 ar 23 12 19 ar 24 13 14 ar 25 13 26 1 26 14 27 1 27 15 16 ar 28 16 20 ar 29 17 22 1 30 19 21 ar 31 19 30 1 32 20 23 ar 33 20 31 1 34 21 32 1 35 22 33 1 36 22 34 1 37 22 35 1 38 23 24 ar 39 23 36 1 40 24 37 1