REMARK Name = BDB063737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.042 0.246 1.220 0.00 0.00 +0.135 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 0.214 0.576 -1.154 0.00 0.00 -0.291 OA ATOM 3 C LIG 1 0.593 -0.012 -0.142 0.00 0.00 +0.174 C BRANCH 3 4 ATOM 4 C LIG 1 1.684 -1.026 -0.279 0.00 0.00 +0.018 A ATOM 5 C LIG 1 2.451 -1.471 0.805 0.00 0.00 +0.013 A ATOM 6 C LIG 1 3.449 -2.433 0.610 0.00 0.00 +0.020 A ATOM 7 C LIG 1 3.684 -2.949 -0.663 0.00 0.00 +0.041 A ATOM 8 CL LIG 1 4.910 -4.132 -0.892 0.00 0.00 -0.084 Cl ATOM 9 C LIG 1 2.932 -2.509 -1.749 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.937 -1.547 -1.558 0.00 0.00 +0.013 A ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 11 ATOM 11 C LIG 1 -0.804 1.570 1.308 0.00 0.00 +0.177 C ATOM 12 O LIG 1 -1.864 1.682 1.926 0.00 0.00 -0.291 OA BRANCH 11 13 ATOM 13 C LIG 1 -0.234 2.810 0.723 0.00 0.00 +0.056 A ATOM 14 C LIG 1 1.142 3.051 0.691 0.00 0.00 +0.134 A ATOM 15 F LIG 1 2.010 2.169 1.208 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.648 4.229 0.142 0.00 0.00 +0.042 A ATOM 17 C LIG 1 0.770 5.182 -0.372 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -0.602 4.948 -0.325 0.00 0.00 +0.124 A ATOM 19 F LIG 1 -1.442 5.870 -0.811 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -1.113 3.776 0.221 0.00 0.00 +0.052 A ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 1 21 ATOM 21 C LIG 1 -0.922 -0.952 1.650 0.00 0.00 +0.054 C BRANCH 21 22 ATOM 22 C LIG 1 -1.861 -1.496 0.595 0.00 0.00 -0.044 A ATOM 23 C LIG 1 -1.522 -2.648 -0.131 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -2.372 -3.134 -1.127 0.00 0.00 +0.043 A ATOM 25 CL LIG 1 -1.922 -4.538 -2.014 0.00 0.00 -0.083 Cl ATOM 26 C LIG 1 -3.573 -2.493 -1.411 0.00 0.00 +0.040 A ATOM 27 C LIG 1 -3.922 -1.358 -0.684 0.00 0.00 +0.043 A ATOM 28 CL LIG 1 -5.410 -0.560 -1.017 0.00 0.00 -0.083 Cl ATOM 29 C LIG 1 -3.078 -0.861 0.312 0.00 0.00 +0.023 A ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6