REMARK Name = BDB007371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.344 -0.330 -0.973 0.00 0.00 +0.150 C ATOM 2 C LIG 1 -0.844 -0.509 0.471 0.00 0.00 +0.069 C ATOM 3 C LIG 1 -2.378 -0.583 0.332 0.00 0.00 +0.098 C ATOM 4 C LIG 1 -2.986 -1.972 0.139 0.00 0.00 -0.009 A ATOM 5 C LIG 1 -3.828 -2.260 1.214 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -4.523 -3.445 1.329 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -4.370 -4.371 0.298 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -3.552 -4.095 -0.811 0.00 0.00 +0.020 A ATOM 9 CL LIG 1 -5.207 -5.873 0.376 0.00 0.00 -0.083 Cl ATOM 10 N LIG 1 -3.859 -1.193 2.092 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -4.389 -1.146 2.950 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -2.858 -2.883 -0.899 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -3.049 -0.151 1.664 0.00 0.00 +0.230 C ATOM 14 O LIG 1 -2.887 0.888 2.281 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 -2.663 0.324 -0.895 0.00 0.00 +0.075 C ATOM 16 N LIG 1 -1.532 0.009 -1.805 0.00 0.00 -0.301 NA ATOM 17 H LIG 1 -1.280 0.822 -2.377 0.00 0.00 +0.123 HD ENDROOT BRANCH 2 18 ATOM 18 C LIG 1 -0.165 -1.605 1.283 0.00 0.00 -0.004 A ATOM 19 C LIG 1 0.149 -1.366 2.632 0.00 0.00 +0.145 A ATOM 20 F LIG 1 -0.134 -0.169 3.165 0.00 0.00 -0.204 F ATOM 21 C LIG 1 0.768 -2.338 3.420 0.00 0.00 +0.076 A ATOM 22 CL LIG 1 1.159 -2.016 5.065 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 1.084 -3.578 2.873 0.00 0.00 +0.023 A ATOM 24 C LIG 1 0.781 -3.838 1.538 0.00 0.00 +0.002 A ATOM 25 C LIG 1 0.164 -2.861 0.751 0.00 0.00 +0.007 A ENDBRANCH 2 18 BRANCH 1 28 ATOM 26 N LIG 1 1.823 0.614 -0.276 0.00 0.00 -0.311 N ATOM 27 H LIG 1 1.966 -0.294 0.149 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 0.719 0.787 -1.087 0.00 0.00 +0.231 C ATOM 29 O LIG 1 0.594 1.736 -1.858 0.00 0.00 -0.274 OA BRANCH 26 35 ATOM 30 C LIG 1 7.583 -0.258 1.380 0.00 0.00 +0.109 C ATOM 31 C LIG 1 7.151 0.489 0.143 0.00 0.00 +0.212 C ATOM 32 N LIG 1 5.813 0.856 0.063 0.00 0.00 -0.302 N ATOM 33 C LIG 1 4.837 0.627 1.128 0.00 0.00 +0.109 C ATOM 34 C LIG 1 3.658 1.588 1.046 0.00 0.00 +0.041 C ATOM 35 C LIG 1 2.957 1.532 -0.317 0.00 0.00 +0.076 C ATOM 36 C LIG 1 3.904 1.153 -1.464 0.00 0.00 +0.041 C ATOM 37 C LIG 1 5.344 1.528 -1.149 0.00 0.00 +0.109 C ATOM 38 O LIG 1 7.968 0.751 -0.739 0.00 0.00 -0.276 OA ENDBRANCH 26 35 ENDBRANCH 1 28 BRANCH 15 39 ATOM 39 C LIG 1 -2.784 1.846 -0.625 0.00 0.00 +0.026 C BRANCH 39 40 ATOM 40 C LIG 1 -3.458 2.737 -1.719 0.00 0.00 -0.036 C ATOM 41 C LIG 1 -4.932 2.334 -1.913 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -2.751 2.691 -3.079 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -3.423 4.197 -1.215 0.00 0.00 +0.010 C ENDBRANCH 39 40 ENDBRANCH 15 39 TORSDOF 5