REMARK Name = BDB056083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.789 0.310 -1.416 0.00 0.00 +0.075 C ATOM 2 C LIG 1 -2.298 -1.119 -1.035 0.00 0.00 +0.098 C ATOM 3 C LIG 1 -3.486 -1.202 -0.090 0.00 0.00 -0.009 A ATOM 4 C LIG 1 -4.545 -1.848 -0.730 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -5.759 -2.091 -0.123 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -5.909 -1.651 1.190 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -4.867 -0.983 1.855 0.00 0.00 +0.020 A ATOM 8 CL LIG 1 -7.399 -1.918 2.010 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -4.190 -2.174 -2.026 0.00 0.00 -0.284 N ATOM 10 H LIG 1 -4.777 -2.645 -2.699 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -3.646 -0.750 1.212 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -2.898 -1.771 -2.315 0.00 0.00 +0.230 C ATOM 13 O LIG 1 -2.342 -1.917 -3.392 0.00 0.00 -0.274 OA ATOM 14 C LIG 1 -1.005 -1.937 -0.662 0.00 0.00 +0.069 C ATOM 15 C LIG 1 0.113 -0.961 -1.071 0.00 0.00 +0.150 C ATOM 16 N LIG 1 -0.442 0.400 -0.801 0.00 0.00 -0.301 NA ATOM 17 H LIG 1 -0.555 0.517 0.207 0.00 0.00 +0.123 HD ENDROOT BRANCH 14 18 ATOM 18 C LIG 1 -1.009 -2.520 0.746 0.00 0.00 -0.004 A ATOM 19 C LIG 1 -1.635 -3.766 0.939 0.00 0.00 +0.145 A ATOM 20 F LIG 1 -2.191 -4.381 -0.118 0.00 0.00 -0.204 F ATOM 21 C LIG 1 -1.712 -4.358 2.200 0.00 0.00 +0.076 A ATOM 22 CL LIG 1 -2.502 -5.873 2.412 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 -1.157 -3.716 3.302 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -0.530 -2.482 3.136 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -0.460 -1.886 1.872 0.00 0.00 +0.007 A ENDBRANCH 14 18 BRANCH 15 26 ATOM 26 C LIG 1 1.517 -1.137 -0.478 0.00 0.00 +0.231 C ATOM 27 N LIG 1 2.247 0.037 -0.501 0.00 0.00 -0.313 N ATOM 28 H LIG 1 1.700 0.876 -0.688 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 1.968 -2.206 -0.085 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C LIG 1 3.549 0.141 0.126 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 C LIG 1 4.362 1.320 -0.439 0.00 0.00 +0.103 C BRANCH 31 32 ATOM 32 N LIG 1 5.706 1.536 0.107 0.00 0.00 -0.297 NA ATOM 33 C LIG 1 6.635 0.409 -0.094 0.00 0.00 +0.112 C ATOM 34 C LIG 1 6.979 -0.340 1.205 0.00 0.00 +0.175 C ATOM 35 O LIG 1 7.540 0.505 2.219 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 7.108 1.869 2.126 0.00 0.00 +0.175 C ATOM 37 C LIG 1 5.711 2.008 1.502 0.00 0.00 +0.112 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 15 26 BRANCH 1 38 ATOM 38 C LIG 1 -2.694 1.498 -1.029 0.00 0.00 +0.026 C BRANCH 38 40 ATOM 39 C LIG 1 -2.461 2.855 -3.183 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -2.369 2.893 -1.648 0.00 0.00 -0.036 C ATOM 41 C LIG 1 -0.983 3.413 -1.238 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -3.427 3.890 -1.127 0.00 0.00 +0.010 C ENDBRANCH 38 40 ENDBRANCH 1 38 TORSDOF 7