REMARK Name = BDB009953 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.831 0.120 0.291 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.922 -0.744 0.898 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -1.234 -1.344 2.104 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.224 -2.141 2.548 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 0.702 -2.107 1.610 0.00 0.00 +0.146 A ATOM 6 N LIG 1 -2.390 -1.173 2.763 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -3.228 -0.360 2.092 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.327 -1.244 0.589 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -3.010 0.272 0.921 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 1.948 -2.860 1.679 0.00 0.00 +0.039 A ATOM 11 C LIG 1 2.210 -3.933 0.824 0.00 0.00 +0.056 A ATOM 12 C LIG 1 3.413 -4.612 0.953 0.00 0.00 +0.185 A ATOM 13 F LIG 1 3.702 -5.639 0.142 0.00 0.00 -0.200 F ATOM 14 C LIG 1 4.316 -4.210 1.927 0.00 0.00 +0.249 A ATOM 15 N LIG 1 4.093 -3.193 2.778 0.00 0.00 -0.218 NA ATOM 16 C LIG 1 2.904 -2.555 2.649 0.00 0.00 +0.126 A BRANCH 14 17 ATOM 17 O LIG 1 5.516 -4.847 2.073 0.00 0.00 -0.490 OA ATOM 18 H LIG 1 5.527 -5.572 1.425 0.00 0.00 +0.294 HD ENDBRANCH 14 17 ENDBRANCH 5 10 BRANCH 1 19 ATOM 19 N LIG 1 -1.549 0.785 -0.892 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -0.637 1.226 -0.834 0.00 0.00 +0.148 HD BRANCH 19 22 ATOM 21 C LIG 1 -2.820 2.922 -0.669 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -2.519 1.691 -1.518 0.00 0.00 +0.072 C BRANCH 22 23 ATOM 23 C LIG 1 -3.763 0.962 -1.955 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -4.391 1.242 -3.300 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -3.700 -0.070 -3.056 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 7 26 ATOM 26 C LIG 1 -4.557 -0.142 2.762 0.00 0.00 +0.375 C ATOM 27 O LIG 1 -5.464 0.558 2.344 0.00 0.00 -0.242 OA BRANCH 26 28 ATOM 28 O LIG 1 -4.634 -0.839 3.931 0.00 0.00 -0.475 OA ATOM 29 H LIG 1 -3.798 -1.338 4.085 0.00 0.00 +0.296 HD ENDBRANCH 26 28 ENDBRANCH 7 26 BRANCH 8 30 ATOM 30 C LIG 1 1.079 -0.982 -0.633 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 1.761 0.368 -0.653 0.00 0.00 -0.028 A ATOM 32 C LIG 1 1.827 1.076 -1.865 0.00 0.00 +0.006 A ATOM 33 C LIG 1 2.466 2.316 -1.936 0.00 0.00 +0.013 A ATOM 34 C LIG 1 3.072 2.872 -0.801 0.00 0.00 +0.055 A ATOM 35 C LIG 1 3.032 2.156 0.402 0.00 0.00 +0.013 A ATOM 36 C LIG 1 2.390 0.916 0.474 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 3.767 4.210 -0.896 0.00 0.00 +0.417 C ATOM 38 F LIG 1 2.956 5.180 -1.401 0.00 0.00 -0.166 F ATOM 39 F LIG 1 4.211 4.680 0.302 0.00 0.00 -0.166 F ATOM 40 F LIG 1 4.856 4.170 -1.712 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 10