@MOLECULE pf-514273 47 50 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 2.8189 1.0891 1.8001 Cl 1 UNL111111111 -0.0316 2 CL 5.8516 -2.7986 -0.7329 Cl 1 UNL111111111 -0.0982 3 F -5.7752 -1.2958 -1.4457 F 1 UNL111111111 -0.2449 4 F -5.0513 0.6420 -1.2177 F 1 UNL111111111 -0.2035 5 O -0.8013 -2.1018 0.4206 O.3 1 UNL111111111 -0.2776 6 O -3.5743 1.4005 1.1192 O.2 1 UNL111111111 -0.4705 7 N -3.7480 -0.8065 0.7315 N.am 1 UNL111111111 -0.5014 8 N 0.3852 1.1755 0.0408 N.ar 1 UNL111111111 -0.0604 9 N -0.8901 1.4950 0.2961 N.ar 1 UNL111111111 -0.1333 10 C -3.2162 -2.0061 0.0814 C.3 1 UNL111111111 -0.1117 11 C -5.1989 -0.6622 0.7755 C.3 1 UNL111111111 -0.1342 12 C -0.6549 -0.7696 0.3560 C.ar 1 UNL111111111 0.1453 13 C -1.5684 0.3219 0.4882 C.ar 1 UNL111111111 -0.1654 14 C 0.6002 -0.2099 0.0622 C.ar 1 UNL111111111 -0.0660 15 C -2.0561 -2.5560 0.9213 C.3 1 UNL111111111 -0.0684 16 C -3.0057 0.3861 0.7777 C.2 1 UNL111111111 0.6129 17 C -5.8273 -0.2546 -0.5900 C.3 1 UNL111111111 0.4024 18 C 1.8676 -0.8614 -0.1787 C.ar 1 UNL111111111 0.0082 19 C 1.3486 2.2016 -0.1627 C.ar 1 UNL111111111 0.1176 20 C -7.2559 0.2579 -0.4646 C.3 1 UNL111111111 -0.5189 21 C 2.6954 -0.4597 -1.2329 C.ar 1 UNL111111111 -0.1368 22 C 2.2650 -1.8964 0.6785 C.ar 1 UNL111111111 -0.1034 23 C 2.5324 2.2398 0.5824 C.ar 1 UNL111111111 -0.0108 24 C 1.1017 3.1926 -1.1211 C.ar 1 UNL111111111 -0.1166 25 C 3.9376 -1.0630 -1.4126 C.ar 1 UNL111111111 -0.1676 26 C 3.5035 -2.5068 0.5071 C.ar 1 UNL111111111 -0.1692 27 C 3.4905 3.2181 0.3523 C.ar 1 UNL111111111 -0.1565 28 C 2.0571 4.1799 -1.3435 C.ar 1 UNL111111111 -0.1466 29 C 4.3151 -2.0668 -0.5308 C.ar 1 UNL111111111 0.0403 30 C 3.2489 4.1883 -0.6190 C.ar 1 UNL111111111 -0.1186 31 H -2.8660 -1.7892 -0.9578 H 1 UNL111111111 0.1668 32 H -4.0127 -2.7771 -0.0162 H 1 UNL111111111 0.1581 33 H -5.4551 0.1255 1.5338 H 1 UNL111111111 0.1923 34 H -5.6603 -1.6073 1.1389 H 1 UNL111111111 0.1584 35 H -2.1412 -2.2880 1.9904 H 1 UNL111111111 0.1543 36 H -1.9410 -3.6521 0.8147 H 1 UNL111111111 0.1550 37 H -7.9088 -0.4714 0.0300 H 1 UNL111111111 0.1673 38 H -7.2932 1.1919 0.1167 H 1 UNL111111111 0.1820 39 H -7.7068 0.4819 -1.4442 H 1 UNL111111111 0.1808 40 H 2.3681 0.3237 -1.9160 H 1 UNL111111111 0.1635 41 H 1.6009 -2.2130 1.4849 H 1 UNL111111111 0.1731 42 H 0.1588 3.1880 -1.6761 H 1 UNL111111111 0.1904 43 H 4.5892 -0.7492 -2.2271 H 1 UNL111111111 0.1719 44 H 3.8225 -3.3045 1.1771 H 1 UNL111111111 0.1729 45 H 4.4183 3.2339 0.9269 H 1 UNL111111111 0.1770 46 H 1.8685 4.9525 -2.0897 H 1 UNL111111111 0.1633 47 H 3.9942 4.9612 -0.8068 H 1 UNL111111111 0.1583 @BOND 1 39 20 1 2 37 20 1 3 20 38 1 4 20 17 1 5 3 17 1 6 17 4 1 7 17 11 1 8 34 11 1 9 32 10 1 10 11 33 1 11 11 7 1 12 31 10 1 13 10 7 1 14 10 15 1 15 7 16 am 16 36 15 1 17 15 35 1 18 15 5 1 19 16 6 2 20 16 13 1 21 5 12 1 22 13 12 ar 23 13 9 ar 24 12 14 ar 25 9 8 ar 26 14 8 ar 27 14 18 1 28 42 24 1 29 8 19 1 30 41 22 1 31 18 22 ar 32 18 21 ar 33 40 21 1 34 22 26 ar 35 21 25 ar 36 24 19 ar 37 24 28 ar 38 19 23 ar 39 26 44 1 40 26 29 ar 41 25 43 1 42 25 29 ar 43 46 28 1 44 29 2 1 45 28 30 ar 46 23 1 1 47 23 27 ar 48 30 27 ar 49 30 47 1 50 27 45 1