REMARK Name = BDB008703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.416 -1.095 1.079 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.090 -1.515 1.013 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.409 -2.370 1.978 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.720 -2.661 1.758 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 2.069 -2.008 0.661 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -0.303 -2.858 3.002 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.574 -2.436 2.988 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.970 -1.330 0.146 0.00 0.00 -0.314 N ATOM 9 N LIG 1 -2.147 -1.597 2.094 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.429 -2.034 0.103 0.00 0.00 +0.107 A ATOM 11 N LIG 1 3.778 -1.004 -0.701 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 5.039 -0.993 -1.186 0.00 0.00 +0.112 A ATOM 13 C LIG 1 5.982 -1.965 -0.901 0.00 0.00 +0.029 A ATOM 14 C LIG 1 5.617 -3.025 -0.069 0.00 0.00 +0.021 A ATOM 15 C LIG 1 4.316 -3.050 0.446 0.00 0.00 +0.040 A BRANCH 14 16 ATOM 16 C LIG 1 6.601 -4.099 0.303 0.00 0.00 +0.372 C ATOM 17 F LIG 1 7.679 -4.144 -0.530 0.00 0.00 -0.204 F ATOM 18 F LIG 1 6.055 -5.346 0.267 0.00 0.00 -0.204 F ENDBRANCH 14 16 ENDBRANCH 5 10 BRANCH 1 19 ATOM 19 N LIG 1 -1.979 -0.205 0.164 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -1.323 0.549 -0.021 0.00 0.00 +0.148 HD BRANCH 19 22 ATOM 21 C LIG 1 -4.366 -0.736 -0.012 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -3.334 0.292 0.457 0.00 0.00 +0.072 C BRANCH 22 23 ATOM 23 C LIG 1 -3.522 1.657 -0.230 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -3.721 1.774 -1.769 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -4.589 3.018 -1.484 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -4.877 2.411 -0.093 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 7 27 ATOM 27 C LIG 1 -2.448 -2.953 4.101 0.00 0.00 +0.375 C ATOM 28 O LIG 1 -2.123 -3.716 4.995 0.00 0.00 -0.242 OA BRANCH 27 29 ATOM 29 O LIG 1 -3.718 -2.484 4.051 0.00 0.00 -0.475 OA ATOM 30 H LIG 1 -4.150 -2.905 4.821 0.00 0.00 +0.296 HD ENDBRANCH 27 29 ENDBRANCH 7 27 BRANCH 8 31 ATOM 31 C LIG 1 0.884 -0.684 -1.160 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 C LIG 1 0.930 0.829 -1.110 0.00 0.00 -0.028 A ATOM 33 C LIG 1 1.670 1.541 -0.156 0.00 0.00 +0.006 A ATOM 34 C LIG 1 1.683 2.939 -0.158 0.00 0.00 +0.013 A ATOM 35 C LIG 1 0.964 3.661 -1.120 0.00 0.00 +0.055 A ATOM 36 C LIG 1 0.251 2.953 -2.096 0.00 0.00 +0.013 A ATOM 37 C LIG 1 0.239 1.556 -2.094 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 0.995 5.169 -1.137 0.00 0.00 +0.417 C ATOM 39 F LIG 1 -0.167 5.719 -1.589 0.00 0.00 -0.166 F ATOM 40 F LIG 1 1.978 5.658 -1.941 0.00 0.00 -0.166 F ATOM 41 F LIG 1 1.209 5.715 0.093 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 10