REMARK Name = BDB063776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.569 0.928 0.484 0.00 0.00 +0.221 C ATOM 2 N LIG 1 -1.818 1.225 -0.069 0.00 0.00 -0.257 N ATOM 3 O LIG 1 -0.437 0.194 1.465 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.032 2.272 -1.015 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -2.760 2.044 -2.191 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -2.992 3.083 -3.098 0.00 0.00 +0.022 A ATOM 7 C LIG 1 -2.506 4.360 -2.829 0.00 0.00 +0.041 A ATOM 8 CL LIG 1 -2.798 5.638 -3.941 0.00 0.00 -0.084 Cl ATOM 9 C LIG 1 -1.792 4.606 -1.661 0.00 0.00 +0.022 A ATOM 10 C LIG 1 -1.559 3.566 -0.755 0.00 0.00 +0.025 A ENDBRANCH 2 4 BRANCH 1 11 ATOM 11 C LIG 1 0.665 1.513 -0.188 0.00 0.00 +0.105 C BRANCH 11 12 ATOM 12 C LIG 1 1.899 0.664 0.118 0.00 0.00 +0.105 C BRANCH 12 19 ATOM 13 C LIG 1 8.299 -2.732 0.566 0.00 0.00 +0.109 C ATOM 14 C LIG 1 7.922 -1.901 -0.635 0.00 0.00 +0.213 C ATOM 15 N LIG 1 6.730 -1.200 -0.565 0.00 0.00 -0.299 N ATOM 16 C LIG 1 5.793 -1.263 0.561 0.00 0.00 +0.126 C ATOM 17 C LIG 1 4.356 -0.883 0.172 0.00 0.00 +0.126 C ATOM 18 N LIG 1 4.272 0.405 -0.526 0.00 0.00 -0.298 N ATOM 19 C LIG 1 3.134 1.197 -0.583 0.00 0.00 +0.216 C ATOM 20 O LIG 1 3.124 2.286 -1.158 0.00 0.00 -0.276 OA ATOM 21 C LIG 1 5.470 0.844 -1.249 0.00 0.00 +0.126 C ATOM 22 C LIG 1 6.363 -0.324 -1.683 0.00 0.00 +0.126 C ATOM 23 O LIG 1 8.654 -1.868 -1.623 0.00 0.00 -0.276 OA ENDBRANCH 12 19 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 24 ATOM 24 C LIG 1 -2.986 0.373 0.296 0.00 0.00 +0.184 C BRANCH 24 25 ATOM 25 C LIG 1 -3.322 0.419 1.792 0.00 0.00 -0.001 A ATOM 26 C LIG 1 -3.106 -0.605 2.736 0.00 0.00 +0.049 A ATOM 27 CL LIG 1 -2.413 -2.141 2.359 0.00 0.00 -0.083 Cl ATOM 28 C LIG 1 -3.455 -0.419 4.080 0.00 0.00 +0.058 A ATOM 29 C LIG 1 -4.010 0.781 4.497 0.00 0.00 +0.125 A ATOM 30 F LIG 1 -4.341 0.945 5.785 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -4.226 1.813 3.600 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -3.881 1.635 2.261 0.00 0.00 +0.010 A ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 -2.928 -0.983 -0.428 0.00 0.00 +0.188 C ATOM 34 O LIG 1 -1.935 -1.353 -1.061 0.00 0.00 -0.290 OA BRANCH 33 35 ATOM 35 C LIG 1 -4.146 -1.864 -0.468 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -5.417 -1.438 -0.060 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -6.508 -2.315 -0.123 0.00 0.00 +0.020 A ATOM 38 C LIG 1 -6.334 -3.614 -0.596 0.00 0.00 +0.041 A ATOM 39 CL LIG 1 -7.679 -4.683 -0.670 0.00 0.00 -0.084 Cl ATOM 40 C LIG 1 -5.079 -4.048 -1.011 0.00 0.00 +0.020 A ATOM 41 C LIG 1 -3.990 -3.175 -0.948 0.00 0.00 +0.013 A ENDBRANCH 33 35 ENDBRANCH 24 33 ENDBRANCH 2 24 TORSDOF 8