REMARK Name = BDB019288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.882 -0.606 1.133 0.00 0.00 +0.039 A ATOM 2 C LIG 1 3.831 -1.337 0.566 0.00 0.00 +0.043 A ATOM 3 C LIG 1 2.728 -0.627 0.076 0.00 0.00 +0.090 A ATOM 4 N LIG 1 1.592 -1.099 -0.534 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 0.854 -0.038 -0.787 0.00 0.00 +0.116 A ATOM 6 C LIG 1 -0.501 -0.035 -1.427 0.00 0.00 +0.082 C ATOM 7 C LIG 1 -1.536 -0.726 -0.515 0.00 0.00 +0.068 C ATOM 8 C LIG 1 -2.830 0.062 -0.776 0.00 0.00 +0.134 C ATOM 9 C LIG 1 -3.962 -0.206 0.205 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.123 -0.557 -0.487 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -6.312 -0.865 0.142 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -6.320 -0.838 1.535 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -5.159 -0.525 2.260 0.00 0.00 +0.020 A ATOM 14 CL LIG 1 -7.770 -1.217 2.382 0.00 0.00 -0.083 Cl ATOM 15 N LIG 1 -4.881 -0.606 -1.848 0.00 0.00 -0.283 N ATOM 16 H LIG 1 -5.543 -0.886 -2.557 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -3.968 -0.214 1.594 0.00 0.00 +0.009 A ATOM 18 N LIG 1 -2.372 1.491 -0.945 0.00 0.00 -0.281 NA ATOM 19 C LIG 1 -3.550 -0.340 -2.137 0.00 0.00 +0.243 C ATOM 20 O LIG 1 -3.064 -0.402 -3.257 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -1.088 1.378 -1.700 0.00 0.00 +0.071 C ATOM 22 C LIG 1 -0.028 2.494 -1.696 0.00 0.00 +0.041 C ATOM 23 C LIG 1 0.940 2.431 -0.527 0.00 0.00 +0.125 C ATOM 24 N LIG 1 1.493 1.104 -0.379 0.00 0.00 -0.327 N ATOM 25 C LIG 1 2.694 0.762 0.185 0.00 0.00 +0.069 A ATOM 26 C LIG 1 3.724 1.506 0.773 0.00 0.00 +0.029 A ATOM 27 C LIG 1 4.826 0.790 1.252 0.00 0.00 +0.015 A ENDROOT BRANCH 7 28 ATOM 28 C LIG 1 -1.633 -2.241 -0.613 0.00 0.00 -0.004 A ATOM 29 C LIG 1 -1.765 -2.996 0.565 0.00 0.00 +0.145 A ATOM 30 F LIG 1 -1.796 -2.362 1.749 0.00 0.00 -0.204 F ATOM 31 C LIG 1 -1.872 -4.388 0.531 0.00 0.00 +0.076 A ATOM 32 CL LIG 1 -2.050 -5.290 1.987 0.00 0.00 -0.081 Cl ATOM 33 C LIG 1 -1.846 -5.058 -0.689 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -1.713 -4.330 -1.870 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -1.608 -2.935 -1.833 0.00 0.00 +0.007 A ENDBRANCH 7 28 BRANCH 1 38 ATOM 36 C LIG 1 7.551 -0.434 -0.140 0.00 0.00 +0.132 C ATOM 37 N LIG 1 7.311 -1.063 1.153 0.00 0.00 -0.304 N ATOM 38 C LIG 1 6.046 -1.342 1.668 0.00 0.00 +0.246 C ATOM 39 O LIG 1 5.838 -2.156 2.564 0.00 0.00 -0.270 OA ATOM 40 C LIG 1 8.449 -1.742 1.749 0.00 0.00 +0.132 C ENDBRANCH 1 38 BRANCH 18 41 ATOM 41 C LIG 1 -2.370 2.298 0.269 0.00 0.00 +0.089 C BRANCH 41 42 ATOM 42 C LIG 1 -2.399 3.770 -0.053 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -1.484 4.751 0.645 0.00 0.00 +0.005 C ATOM 44 C LIG 1 -2.944 4.736 0.976 0.00 0.00 +0.005 C ENDBRANCH 41 42 ENDBRANCH 18 41 TORSDOF 4