REMARK Name = BDB026147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.568 0.641 0.310 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.388 -0.763 0.360 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.484 -1.615 0.518 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.779 -1.086 0.628 0.00 0.00 +0.021 A ATOM 5 C LIG 1 2.945 0.304 0.577 0.00 0.00 +0.133 A ATOM 6 F LIG 1 4.168 0.844 0.682 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.860 1.162 0.418 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -0.802 4.345 -2.383 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -0.704 3.722 -0.983 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -1.842 4.157 -0.129 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -1.723 5.560 0.274 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.023 3.284 1.063 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.348 2.529 0.897 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -0.851 2.303 1.334 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -0.577 1.458 0.154 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -0.628 2.175 -1.145 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.929 -1.997 0.809 0.00 0.00 +0.004 A ATOM 18 C LIG 1 4.924 -1.984 -0.099 0.00 0.00 +0.097 A ATOM 19 N LIG 1 6.032 -2.815 0.002 0.00 0.00 -0.315 N ATOM 20 C LIG 1 7.060 -2.727 -1.023 0.00 0.00 +0.152 C ATOM 21 C LIG 1 6.194 -3.724 1.055 0.00 0.00 +0.286 A ATOM 22 O LIG 1 7.160 -4.471 1.186 0.00 0.00 -0.265 OA ATOM 23 C LIG 1 5.083 -3.732 2.048 0.00 0.00 +0.188 A ATOM 24 F LIG 1 5.193 -4.594 3.078 0.00 0.00 -0.200 F ATOM 25 C LIG 1 4.028 -2.922 1.924 0.00 0.00 +0.054 A ENDBRANCH 4 17 BRANCH 2 26 ATOM 26 N LIG 1 -0.946 -1.202 0.231 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.587 -0.420 0.093 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -1.430 -2.483 0.291 0.00 0.00 +0.250 C ATOM 29 O LIG 1 -0.801 -3.508 0.519 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -2.908 -2.542 0.105 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -3.586 -2.222 -1.147 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -4.930 -2.311 -1.207 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -5.717 -2.729 -0.019 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -6.938 -2.797 -0.060 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -4.986 -3.030 1.103 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -5.521 -3.335 1.908 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -3.617 -2.947 1.171 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -2.766 -1.844 -2.340 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -2.204 -0.619 -2.188 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -3.508 -1.782 -3.477 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.763 -2.721 -2.584 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 5