@MOLECULE flurazepam 50 52 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 0.7782 3.8801 -1.4433 Cl 1 UNL11111111 -0.0766 2 F 3.9890 -0.4905 -0.9700 F 1 UNL11111111 -0.1594 3 O -1.6921 -3.7274 -1.2697 O.2 1 UNL11111111 -0.4956 4 N -1.5920 -1.4906 -1.0144 N.am 1 UNL11111111 -0.4996 5 N -2.7499 0.2344 1.4214 N.3 1 UNL11111111 -0.4500 6 N 1.3237 -2.3187 -0.9467 N.2 1 UNL11111111 -0.3405 7 C -2.8869 -1.5078 -0.3043 C.3 1 UNL11111111 -0.0679 8 C -2.6992 -1.2316 1.2114 C.3 1 UNL11111111 -0.1372 9 C -0.9579 -0.2372 -1.1781 C.ar 1 UNL11111111 0.2416 10 C -1.5129 0.7382 2.0697 C.3 1 UNL11111111 -0.0897 11 C -3.9673 0.6471 2.1601 C.3 1 UNL11111111 -0.0856 12 C 0.4017 -0.0297 -0.8789 C.ar 1 UNL11111111 -0.1631 13 C -1.0410 -2.7149 -1.3926 C.2 1 UNL11111111 0.5709 14 C 1.3015 -1.1258 -0.4676 C.2 1 UNL11111111 0.2097 15 C 0.3715 -2.7202 -1.9632 C.3 1 UNL11111111 -0.2079 16 C -1.7434 0.8424 -1.6387 C.ar 1 UNL11111111 -0.1751 17 C 0.9363 1.2611 -0.9768 C.ar 1 UNL11111111 -0.1105 18 C -1.3893 2.2550 1.8790 C.3 1 UNL11111111 -0.4476 19 C -5.2002 0.4902 1.2600 C.3 1 UNL11111111 -0.4471 20 C 2.2770 -0.8011 0.5960 C.ar 1 UNL11111111 -0.0982 21 C -1.2078 2.1150 -1.7403 C.ar 1 UNL11111111 -0.1156 22 C 0.1259 2.3026 -1.3859 C.ar 1 UNL11111111 -0.0201 23 C 3.6038 -0.4835 0.2953 C.ar 1 UNL11111111 0.2123 24 C 1.8852 -0.8142 1.9347 C.ar 1 UNL11111111 -0.0925 25 C 4.5335 -0.1484 1.2777 C.ar 1 UNL11111111 -0.2211 26 C 2.7988 -0.4819 2.9336 C.ar 1 UNL11111111 -0.1707 27 C 4.1130 -0.1468 2.6058 C.ar 1 UNL11111111 -0.0978 28 H -3.5746 -0.7519 -0.7444 H 1 UNL11111111 0.1567 29 H -3.3674 -2.5053 -0.4489 H 1 UNL11111111 0.1710 30 H -3.4942 -1.7656 1.7742 H 1 UNL11111111 0.1369 31 H -1.7423 -1.6769 1.5551 H 1 UNL11111111 0.1416 32 H -1.4600 0.4799 3.1478 H 1 UNL11111111 0.1106 33 H -0.6436 0.2511 1.5684 H 1 UNL11111111 0.1377 34 H -4.1061 0.0841 3.1075 H 1 UNL11111111 0.1092 35 H -3.8601 1.7192 2.4394 H 1 UNL11111111 0.1383 36 H 0.6354 -3.7713 -2.2586 H 1 UNL11111111 0.2001 37 H 0.4338 -2.1049 -2.8892 H 1 UNL11111111 0.1701 38 H -2.7905 0.6758 -1.8964 H 1 UNL11111111 0.1751 39 H 1.9853 1.4381 -0.7250 H 1 UNL11111111 0.1824 40 H -1.6397 2.5358 0.8460 H 1 UNL11111111 0.1635 41 H -2.0573 2.8135 2.5400 H 1 UNL11111111 0.1392 42 H -0.3652 2.5908 2.0748 H 1 UNL11111111 0.1477 43 H -5.0451 1.0010 0.3009 H 1 UNL11111111 0.1560 44 H -5.4181 -0.5601 1.0428 H 1 UNL11111111 0.1441 45 H -6.0856 0.9263 1.7329 H 1 UNL11111111 0.1410 46 H -1.8228 2.9483 -2.0836 H 1 UNL11111111 0.1740 47 H 0.8646 -1.0941 2.1976 H 1 UNL11111111 0.1586 48 H 5.5586 0.1020 1.0169 H 1 UNL11111111 0.1730 49 H 2.4851 -0.4891 3.9753 H 1 UNL11111111 0.1571 50 H 4.8190 0.1141 3.3937 H 1 UNL11111111 0.1511 @BOND 1 48 25 1 2 50 27 1 3 25 27 ar 4 25 23 ar 5 27 26 ar 6 1 22 1 7 2 23 1 8 23 20 ar 9 39 17 1 10 26 49 1 11 26 24 ar 12 17 22 ar 13 17 12 ar 14 22 21 ar 15 20 24 ar 16 20 14 1 17 42 18 1 18 24 47 1 19 14 12 1 20 14 6 2 21 18 40 1 22 18 41 1 23 18 10 1 24 12 9 ar 25 21 46 1 26 21 16 ar 27 33 10 1 28 6 15 1 29 10 32 1 30 10 5 1 31 9 16 ar 32 9 4 1 33 16 38 1 34 37 15 1 35 15 36 1 36 15 13 1 37 35 11 1 38 5 11 1 39 5 8 1 40 4 13 am 41 4 7 1 42 31 8 1 43 13 3 2 44 11 34 1 45 11 19 1 46 8 7 1 47 8 30 1 48 7 28 1 49 7 29 1 50 43 19 1 51 19 45 1 52 19 44 1