REMARK Name = BDB009299 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.130 0.422 -1.811 0.00 0.00 +0.094 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.148 -0.509 -1.178 0.00 0.00 +0.092 A ATOM 3 C LIG 1 2.263 0.079 -0.408 0.00 0.00 +0.099 A ATOM 4 C LIG 1 3.163 -0.785 0.183 0.00 0.00 +0.068 A ATOM 5 C LIG 1 4.221 -0.247 0.914 0.00 0.00 +0.017 A ATOM 6 C LIG 1 4.334 1.137 1.018 0.00 0.00 +0.020 A ATOM 7 C LIG 1 3.384 1.928 0.387 0.00 0.00 +0.111 A ATOM 8 C LIG 1 2.979 -2.228 0.019 0.00 0.00 +0.274 A ATOM 9 O LIG 1 3.757 -3.024 0.532 0.00 0.00 -0.266 OA ATOM 10 N LIG 1 1.901 -2.621 -0.738 0.00 0.00 -0.242 N ATOM 11 H LIG 1 1.748 -3.619 -0.858 0.00 0.00 +0.192 HD ATOM 12 N LIG 1 2.347 1.433 -0.327 0.00 0.00 -0.253 NA ATOM 13 N LIG 1 0.990 -1.794 -1.327 0.00 0.00 -0.173 NA ENDBRANCH 1 2 BRANCH 1 19 ATOM 14 C LIG 1 -3.151 0.037 0.121 0.00 0.00 +0.072 A ATOM 15 C LIG 1 -3.160 1.225 0.854 0.00 0.00 +0.135 A ATOM 16 F LIG 1 -4.162 1.515 1.699 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -2.124 2.149 0.732 0.00 0.00 +0.039 A ATOM 18 C LIG 1 -1.060 1.895 -0.134 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -1.029 0.714 -0.886 0.00 0.00 -0.041 A ATOM 20 C LIG 1 -2.076 -0.213 -0.747 0.00 0.00 +0.020 A BRANCH 14 24 ATOM 21 N LIG 1 -5.263 -0.750 1.081 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -5.997 -1.442 1.137 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -5.330 0.083 1.653 0.00 0.00 +0.145 HD ATOM 24 C LIG 1 -4.232 -0.979 0.216 0.00 0.00 +0.244 C ATOM 25 O LIG 1 -4.211 -2.002 -0.460 0.00 0.00 -0.270 OA ENDBRANCH 14 24 ENDBRANCH 1 19 TORSDOF 3