@MOLECULE ro 21-3982 36 39 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.3065 -3.8338 0.0916 Cl 1 UNL111111111 -0.0651 2 CL -0.0699 1.2728 -1.7427 Cl 1 UNL111111111 -0.0797 3 N 2.2525 -0.1302 0.2125 N.ar 1 UNL111111111 -0.3064 4 N 0.3591 1.4633 1.9617 N.2 1 UNL111111111 -0.3345 5 N 4.0861 1.0203 -0.3815 N.ar 1 UNL111111111 -0.3911 6 C 1.1522 -1.0115 0.1880 C.ar 1 UNL111111111 0.1863 7 C 2.5410 0.7670 1.2634 C.ar 1 UNL111111111 -0.0286 8 C -0.1090 -0.5854 0.6408 C.ar 1 UNL111111111 -0.1163 9 C 1.6386 0.9318 2.4303 C.3 1 UNL111111111 -0.1116 10 C -0.3483 0.7956 1.1262 C.2 1 UNL111111111 0.1898 11 C 3.2185 0.0855 -0.7914 C.ar 1 UNL111111111 0.2664 12 C 3.6870 1.4517 0.8782 C.ar 1 UNL111111111 -0.0511 13 C 1.3307 -2.3197 -0.2898 C.ar 1 UNL111111111 -0.1866 14 C -1.1853 -1.4735 0.6110 C.ar 1 UNL111111111 -0.1206 15 C -1.5159 1.4523 0.4987 C.ar 1 UNL111111111 -0.0576 16 C 3.2249 -0.5870 -2.1030 C.3 1 UNL111111111 -0.4388 17 C 0.2554 -3.1985 -0.3259 C.ar 1 UNL111111111 -0.1168 18 C -0.9826 -2.7574 0.1288 C.ar 1 UNL111111111 0.0002 19 C -1.4758 1.7115 -0.8703 C.ar 1 UNL111111111 0.0335 20 C -2.6431 1.8267 1.2268 C.ar 1 UNL111111111 -0.0977 21 C -2.5297 2.3153 -1.5386 C.ar 1 UNL111111111 -0.1604 22 C -3.7148 2.4329 0.5705 C.ar 1 UNL111111111 -0.1567 23 C -3.6601 2.6730 -0.8018 C.ar 1 UNL111111111 -0.1174 24 H 1.5180 -0.0181 3.0036 H 1 UNL111111111 0.1588 25 H 2.0550 1.6849 3.1487 H 1 UNL111111111 0.1836 26 H 4.2386 2.2130 1.3965 H 1 UNL111111111 0.1853 27 H 2.3174 -2.6494 -0.6182 H 1 UNL111111111 0.1797 28 H -2.1703 -1.1478 0.9574 H 1 UNL111111111 0.1853 29 H 3.7977 -1.5279 -2.0816 H 1 UNL111111111 0.1707 30 H 2.2113 -0.8063 -2.4738 H 1 UNL111111111 0.1724 31 H 3.7124 0.0590 -2.8596 H 1 UNL111111111 0.1932 32 H 0.3887 -4.2154 -0.7008 H 1 UNL111111111 0.1787 33 H -2.6749 1.6563 2.3034 H 1 UNL111111111 0.1685 34 H -2.4807 2.5112 -2.6093 H 1 UNL111111111 0.1740 35 H -4.5975 2.7252 1.1372 H 1 UNL111111111 0.1564 36 H -4.5017 3.1481 -1.3044 H 1 UNL111111111 0.1542 @BOND 1 1 18 1 2 2 19 1 3 3 6 1 4 3 7 ar 5 3 11 ar 6 4 9 1 7 4 10 2 8 5 11 ar 9 5 12 ar 10 6 8 ar 11 6 13 ar 12 7 9 1 13 7 12 ar 14 8 10 1 15 8 14 ar 16 9 24 1 17 9 25 1 18 10 15 1 19 11 16 1 20 12 26 1 21 13 17 ar 22 13 27 1 23 14 18 ar 24 14 28 1 25 15 19 ar 26 15 20 ar 27 16 29 1 28 16 30 1 29 16 31 1 30 17 18 ar 31 17 32 1 32 19 21 ar 33 20 22 ar 34 20 33 1 35 21 23 ar 36 21 34 1 37 22 23 ar 38 22 35 1 39 23 36 1