REMARK Name = BDB065282 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.093 -1.590 0.887 0.00 0.00 -0.011 A ATOM 2 C LIG 1 1.732 -1.885 1.044 0.00 0.00 +0.038 A ATOM 3 C LIG 1 0.782 -0.929 0.658 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -0.576 -0.993 0.727 0.00 0.00 -0.230 NA ATOM 5 C LIG 1 -1.044 0.135 0.219 0.00 0.00 +0.132 A ATOM 6 N LIG 1 0.004 0.977 -0.125 0.00 0.00 -0.323 N ATOM 7 C LIG 1 1.187 0.286 0.128 0.00 0.00 +0.069 A ATOM 8 C LIG 1 2.543 0.609 -0.029 0.00 0.00 +0.028 A ATOM 9 C LIG 1 3.485 -0.353 0.359 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 3.572 -3.034 3.811 0.00 0.00 +0.070 C ATOM 11 C LIG 1 4.311 -3.202 2.539 0.00 0.00 +0.088 A ATOM 12 C LIG 1 4.089 -2.561 1.291 0.00 0.00 +0.047 A ATOM 13 C LIG 1 5.054 -3.095 0.465 0.00 0.00 +0.142 A ATOM 14 C LIG 1 5.417 -2.931 -0.956 0.00 0.00 +0.090 C ATOM 15 O LIG 1 5.811 -3.975 1.174 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 5.348 -4.047 2.474 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 5 17 ATOM 17 C LIG 1 -2.520 0.418 0.086 0.00 0.00 +0.151 C ATOM 18 N LIG 1 -3.341 -0.794 0.062 0.00 0.00 -0.258 N ATOM 19 C LIG 1 -4.471 -0.646 0.892 0.00 0.00 +0.255 C ATOM 20 O LIG 1 -5.391 -1.430 1.078 0.00 0.00 -0.272 OA ATOM 21 C LIG 1 -4.446 0.759 1.449 0.00 0.00 +0.254 C ATOM 22 F LIG 1 -4.835 0.865 2.746 0.00 0.00 -0.236 F ATOM 23 C LIG 1 -3.000 1.165 1.323 0.00 0.00 +0.077 C BRANCH 18 24 ATOM 24 C LIG 1 -3.162 -1.870 -0.863 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -3.821 -3.097 -0.689 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -3.638 -4.141 -1.595 0.00 0.00 +0.160 A ATOM 27 F LIG 1 -4.277 -5.303 -1.397 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -2.802 -3.988 -2.689 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -2.630 -4.991 -3.560 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -2.137 -2.788 -2.889 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -2.317 -1.738 -1.981 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 5 17 BRANCH 6 32 ATOM 32 C LIG 1 0.011 2.366 -0.584 0.00 0.00 +0.089 C ATOM 33 C LIG 1 0.108 3.351 0.594 0.00 0.00 +0.027 C ATOM 34 C LIG 1 0.335 4.780 0.102 0.00 0.00 +0.033 C ATOM 35 C LIG 1 -0.710 5.215 -0.924 0.00 0.00 +0.115 C ATOM 36 C LIG 1 -0.825 4.215 -2.075 0.00 0.00 +0.033 C ATOM 37 C LIG 1 -1.093 2.802 -1.558 0.00 0.00 +0.027 C BRANCH 35 38 ATOM 38 O LIG 1 -0.349 6.478 -1.466 0.00 0.00 -0.392 OA ATOM 39 H LIG 1 -0.315 7.121 -0.736 0.00 0.00 +0.210 HD ENDBRANCH 35 38 ENDBRANCH 6 32 TORSDOF 5