REMARK Name = BDB024035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.651 -0.225 -0.940 0.00 0.00 +0.047 A ATOM 2 C LIG 1 -0.903 1.089 -1.322 0.00 0.00 +0.134 A ATOM 3 F LIG 1 -2.117 1.618 -1.123 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.081 1.872 -1.916 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.350 1.338 -2.135 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.640 0.020 -1.755 0.00 0.00 -0.041 A ATOM 7 C LIG 1 0.627 -0.755 -1.172 0.00 0.00 +0.018 A ENDROOT BRANCH 1 11 ATOM 8 N LIG 1 -4.924 -1.049 0.678 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -3.869 -1.027 1.702 0.00 0.00 +0.092 C ATOM 10 C LIG 1 -2.573 -0.366 1.254 0.00 0.00 +0.089 C ATOM 11 P LIG 1 -1.899 -1.212 -0.184 0.00 0.00 +0.122 P ATOM 12 O LIG 1 -1.442 -2.599 0.205 0.00 0.00 -0.316 OA ATOM 13 C LIG 1 -3.338 -1.313 -1.258 0.00 0.00 +0.089 C ATOM 14 C LIG 1 -4.543 -1.849 -0.497 0.00 0.00 +0.092 C BRANCH 8 16 ATOM 15 C LIG 1 -6.163 0.969 1.478 0.00 0.00 +0.020 C ATOM 16 C LIG 1 -5.474 0.263 0.315 0.00 0.00 +0.081 C ENDBRANCH 8 16 ENDBRANCH 1 11 BRANCH 6 17 ATOM 17 C LIG 1 3.013 -0.568 -1.999 0.00 0.00 +0.093 C BRANCH 17 18 ATOM 18 C LIG 1 4.129 0.235 -1.344 0.00 0.00 +0.074 A ATOM 19 C LIG 1 4.415 0.074 0.106 0.00 0.00 +0.011 A ATOM 20 C LIG 1 5.433 0.860 0.644 0.00 0.00 +0.050 A ATOM 21 C LIG 1 5.762 0.772 2.002 0.00 0.00 +0.014 A ATOM 22 C LIG 1 5.068 -0.110 2.828 0.00 0.00 +0.001 A ATOM 23 C LIG 1 4.050 -0.901 2.296 0.00 0.00 +0.001 A ATOM 24 C LIG 1 6.166 1.786 -0.234 0.00 0.00 +0.272 A ATOM 25 O LIG 1 7.068 2.496 0.196 0.00 0.00 -0.266 OA ATOM 26 N LIG 1 5.783 1.801 -1.552 0.00 0.00 -0.242 N ATOM 27 H LIG 1 6.281 2.432 -2.172 0.00 0.00 +0.192 HD ATOM 28 C LIG 1 3.723 -0.812 0.939 0.00 0.00 +0.010 A ATOM 29 N LIG 1 4.790 1.058 -2.107 0.00 0.00 -0.175 NA ENDBRANCH 17 18 ENDBRANCH 6 17 TORSDOF 4