REMARK Name = BDB009371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.300 -0.971 0.345 0.00 0.00 +0.079 A ATOM 2 C LIG 1 -2.176 -2.163 1.074 0.00 0.00 +0.145 A ATOM 3 F LIG 1 -3.153 -2.576 1.894 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -1.090 -3.019 0.900 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -0.097 -2.707 -0.023 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.185 -1.533 -0.779 0.00 0.00 -0.040 A ATOM 7 C LIG 1 -1.298 -0.687 -0.600 0.00 0.00 +0.030 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -4.969 1.635 0.255 0.00 0.00 +0.147 C ATOM 9 C LIG 1 -3.878 0.800 -0.398 0.00 0.00 +0.244 C ATOM 10 O LIG 1 -3.504 0.979 -1.551 0.00 0.00 -0.273 OA ATOM 11 N LIG 1 -3.410 -0.098 0.536 0.00 0.00 -0.206 N ATOM 12 C LIG 1 -4.072 0.054 1.736 0.00 0.00 +0.228 C ATOM 13 O LIG 1 -3.727 -0.302 2.854 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -5.321 0.846 1.495 0.00 0.00 +0.124 C BRANCH 8 15 ATOM 15 N LIG 1 -6.121 1.818 -0.633 0.00 0.00 -0.320 NA ATOM 16 H LIG 1 -6.733 2.547 -0.268 0.00 0.00 +0.119 HD ATOM 17 H LIG 1 -5.785 2.151 -1.541 0.00 0.00 +0.119 HD ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 6 18 ATOM 18 C LIG 1 0.865 -1.195 -1.817 0.00 0.00 +0.092 C BRANCH 18 19 ATOM 19 C LIG 1 2.294 -1.246 -1.283 0.00 0.00 +0.069 A ATOM 20 C LIG 1 2.866 -0.051 -0.586 0.00 0.00 -0.016 A ATOM 21 C LIG 1 2.045 1.190 -0.378 0.00 0.00 +0.037 C ATOM 22 C LIG 1 2.675 2.181 0.606 0.00 0.00 +0.005 C ATOM 23 C LIG 1 4.172 2.322 0.365 0.00 0.00 +0.005 C ATOM 24 C LIG 1 4.879 0.973 0.508 0.00 0.00 +0.041 C ATOM 25 C LIG 1 4.140 -0.150 -0.167 0.00 0.00 +0.023 A ATOM 26 C LIG 1 4.897 -1.410 -0.371 0.00 0.00 +0.268 A ATOM 27 O LIG 1 6.054 -1.540 0.014 0.00 0.00 -0.266 OA ATOM 28 N LIG 1 4.224 -2.414 -1.012 0.00 0.00 -0.243 N ATOM 29 H LIG 1 4.725 -3.283 -1.166 0.00 0.00 +0.192 HD ATOM 30 N LIG 1 2.948 -2.354 -1.475 0.00 0.00 -0.175 NA ENDBRANCH 18 19 ENDBRANCH 6 18 TORSDOF 4