@MOLECULE 2-(4-isothiocyanatobenzyl)-4,5-dihydro-1h-imidazole 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.5232 0.9856 -0.0652 S.2 1 UNL1111111111 -0.2057 2 N 3.2937 0.1637 -1.1835 N.pl3 1 UNL1111111111 -0.5696 3 N 3.9573 0.4982 0.9962 N.2 1 UNL1111111111 -0.4659 4 N -3.0830 -0.2656 -0.2271 N.2 1 UNL1111111111 -0.4070 5 C 3.2221 -0.2097 0.1923 C.2 1 UNL1111111111 0.3415 6 C 2.3975 -1.3896 0.5928 C.3 1 UNL1111111111 -0.3021 7 C 4.1109 1.4079 -1.2383 C.3 1 UNL1111111111 -0.1342 8 C 4.6057 1.5820 0.2374 C.3 1 UNL1111111111 -0.1262 9 C 0.9434 -1.0994 0.3817 C.ar 1 UNL1111111111 -0.0148 10 C 0.3181 -0.1175 1.1562 C.ar 1 UNL1111111111 -0.1280 11 C 0.2171 -1.7965 -0.5857 C.ar 1 UNL1111111111 -0.1395 12 C -1.0250 0.1795 0.9668 C.ar 1 UNL1111111111 -0.1990 13 C -1.1291 -1.5173 -0.7906 C.ar 1 UNL1111111111 -0.1692 14 C -1.7455 -0.5255 -0.0122 C.ar 1 UNL1111111111 0.2326 15 C -4.1028 0.3493 -0.0909 C.1 1 UNL1111111111 0.3336 16 H 2.5926 -1.6395 1.6657 H 1 UNL1111111111 0.1951 17 H 2.7325 -2.2885 0.0263 H 1 UNL1111111111 0.1805 18 H 3.5337 2.2781 -1.5919 H 1 UNL1111111111 0.1315 19 H 4.9533 1.2392 -1.9368 H 1 UNL1111111111 0.1542 20 H 5.7050 1.4803 0.3205 H 1 UNL1111111111 0.1565 21 H 4.3235 2.5583 0.6734 H 1 UNL1111111111 0.1505 22 H 2.4450 0.1559 -1.7251 H 1 UNL1111111111 0.2953 23 H 0.8945 0.4211 1.9131 H 1 UNL1111111111 0.1750 24 H 0.7035 -2.5666 -1.1860 H 1 UNL1111111111 0.1647 25 H -1.5125 0.9442 1.5693 H 1 UNL1111111111 0.1736 26 H -1.7035 -2.0583 -1.5422 H 1 UNL1111111111 0.1766 @BOND 1 1 15 2 2 2 5 1 3 2 7 1 4 2 22 1 5 3 5 2 6 3 8 1 7 4 14 1 8 4 15 2 9 5 6 1 10 6 9 1 11 6 16 1 12 6 17 1 13 7 8 1 14 7 18 1 15 7 19 1 16 8 20 1 17 8 21 1 18 9 10 ar 19 9 11 ar 20 10 12 ar 21 10 23 1 22 11 13 ar 23 11 24 1 24 12 14 ar 25 12 25 1 26 13 14 ar 27 13 26 1