REMARK Name = BDB063754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.226 -0.034 0.410 0.00 0.00 +0.175 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.197 0.817 -0.770 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.540 0.218 -1.987 0.00 0.00 +0.129 A ATOM 4 F LIG 1 -0.484 -1.116 -2.111 0.00 0.00 -0.205 F ATOM 5 C LIG 1 -0.948 0.974 -3.085 0.00 0.00 +0.041 A ATOM 6 C LIG 1 -1.017 2.361 -2.977 0.00 0.00 +0.041 A ATOM 7 C LIG 1 -0.676 2.970 -1.775 0.00 0.00 +0.124 A ATOM 8 F LIG 1 -0.744 4.303 -1.671 0.00 0.00 -0.205 F ATOM 9 C LIG 1 -0.270 2.217 -0.676 0.00 0.00 +0.047 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 10 O LIG 1 -0.522 0.542 2.656 0.00 0.00 -0.290 OA ATOM 11 C LIG 1 -0.808 0.053 1.558 0.00 0.00 +0.188 C BRANCH 11 12 ATOM 12 C LIG 1 -2.195 -0.454 1.347 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -2.490 -1.494 0.458 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -3.812 -1.925 0.300 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.835 -1.325 1.034 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -6.457 -1.860 0.834 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -4.548 -0.301 1.933 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -3.229 0.132 2.092 0.00 0.00 +0.013 A ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 19 ATOM 19 N LIG 1 1.521 0.463 0.922 0.00 0.00 -0.330 N ATOM 20 H LIG 1 1.444 0.681 1.920 0.00 0.00 +0.147 HD BRANCH 19 21 ATOM 21 C LIG 1 2.724 -0.160 0.595 0.00 0.00 +0.028 A ATOM 22 C LIG 1 2.934 -0.864 -0.596 0.00 0.00 +0.024 A ATOM 23 C LIG 1 4.187 -1.409 -0.906 0.00 0.00 +0.022 A ATOM 24 C LIG 1 5.256 -1.228 -0.035 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 6.795 -1.894 -0.415 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 5.085 -0.497 1.134 0.00 0.00 +0.022 A ATOM 27 C LIG 1 3.830 0.043 1.435 0.00 0.00 +0.024 A ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 5