@MOLECULE **** 42 42 1 0 0 SMALL USER_CHARGES @ATOM 1 C -0.1608 0.1847 4.9996 C.3 1 **** 0.0000 2 N -1.0536 0.6536 3.9745 N.3 1 **** 0.0000 3 C -2.2955 -0.0570 4.1178 C.3 1 **** 0.0000 4 C -0.4875 0.2924 2.7029 C.3 1 **** 0.0000 5 C -1.4033 0.7711 1.5842 C.3 1 **** 0.0000 6 N -0.8246 0.4019 0.2843 N.3 1 **** 0.0000 7 C -1.5249 0.7550 -0.9590 C.3 1 **** 0.0000 8 C -0.7333 0.2700 -2.1334 C.ar 1 **** 0.0000 9 C 0.4721 -0.4023 -1.9322 C.ar 1 **** 0.0000 10 C 1.2097 -0.8541 -3.0265 C.ar 1 **** 0.0000 11 C 0.7418 -0.6336 -4.3219 C.ar 1 **** 0.0000 12 C -0.4636 0.0387 -4.5231 C.ar 1 **** 0.0000 13 C -1.2012 0.4905 -3.4287 C.ar 1 **** 0.0000 14 C 0.2769 -0.2203 0.2356 C.ar 1 **** 0.0000 15 C 0.2423 -1.6010 0.1227 C.ar 1 **** 0.0000 16 C 1.4510 -2.2874 0.0689 C.ar 1 **** 0.0000 17 C 2.6430 -1.5732 0.1296 C.ar 1 **** 0.0000 18 C 2.5757 -0.1937 0.2422 C.ar 1 **** 0.0000 19 N 1.4179 0.5003 0.2968 N.ar 1 **** 0.0000 20 H 0.8131 0.7169 4.9160 H 1 **** 0.0000 21 H -0.6073 0.3842 5.9994 H 1 **** 0.0000 22 H 0.0028 -0.9094 4.8769 H 1 **** 0.0000 23 H -3.0110 0.2840 3.3364 H 1 **** 0.0000 24 H -2.7235 0.1446 5.1252 H 1 **** 0.0000 25 H -2.1134 -1.1490 4.0028 H 1 **** 0.0000 26 H 0.5120 0.7697 2.5933 H 1 **** 0.0000 27 H -0.3795 -0.8139 2.6459 H 1 **** 0.0000 28 H -2.4028 0.2937 1.6938 H 1 **** 0.0000 29 H -1.5113 1.8774 1.6412 H 1 **** 0.0000 30 H -2.5299 0.2769 -0.9667 H 1 **** 0.0000 31 H -1.6385 1.8605 -1.0194 H 1 **** 0.0000 32 H 0.8410 -0.5763 -0.9106 H 1 **** 0.0000 33 H 2.1603 -1.3843 -2.8679 H 1 **** 0.0000 34 H 1.3234 -0.9899 -5.1848 H 1 **** 0.0000 35 H -0.8326 0.2125 -5.5446 H 1 **** 0.0000 36 H -2.1518 1.0208 -3.5873 H 1 **** 0.0000 37 H -0.7156 -2.1399 0.0768 H 1 **** 0.0000 38 H 1.4639 -3.3837 -0.0208 H 1 **** 0.0000 39 H 3.6134 -2.0897 0.0892 H 1 **** 0.0000 40 H 3.5197 0.3689 0.2901 H 1 **** 0.0000 41 Cl 2.4471 4.6063 -8.3484 Cl 1 **** 0.0000 42 H 3.0389 4.0844 -7.2704 H 1 **** 0.0000 @BOND 1 1 2 1 2 1 20 1 3 1 21 1 4 1 22 1 5 2 3 1 6 2 4 1 7 3 23 1 8 3 24 1 9 3 25 1 10 4 5 1 11 4 26 1 12 4 27 1 13 5 6 1 14 5 28 1 15 5 29 1 16 6 7 1 17 6 14 1 18 7 8 1 19 7 30 1 20 7 31 1 21 8 9 1 22 8 13 2 23 9 10 2 24 9 32 1 25 10 11 1 26 10 33 1 27 11 12 2 28 11 34 1 29 12 13 1 30 12 35 1 31 13 36 1 32 14 15 1 33 14 19 2 34 15 16 2 35 15 37 1 36 16 17 1 37 16 38 1 38 17 18 2 39 17 39 1 40 18 19 1 41 18 40 1 42 41 42 1