REMARK Name = BDB035325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.910 -0.600 -0.297 0.00 0.00 +0.141 A ATOM 2 N LIG 1 0.859 -1.500 0.722 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -0.292 -2.144 1.038 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.457 -1.871 0.330 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -1.454 -0.921 -0.693 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -0.243 -0.290 -1.006 0.00 0.00 +0.055 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.901 1.897 -1.343 0.00 0.00 +0.077 A ATOM 8 C LIG 1 4.770 1.176 -0.874 0.00 0.00 +0.035 A ATOM 9 C LIG 1 3.772 1.312 -1.820 0.00 0.00 +0.114 A ATOM 10 C LIG 1 2.445 0.733 -1.752 0.00 0.00 +0.281 A ATOM 11 N LIG 1 2.194 0.014 -0.553 0.00 0.00 -0.266 N ATOM 12 C LIG 1 3.225 -0.146 0.400 0.00 0.00 +0.109 A ATOM 13 O LIG 1 1.679 0.869 -2.700 0.00 0.00 -0.265 OA ATOM 14 N LIG 1 4.253 2.083 -2.845 0.00 0.00 -0.355 N ATOM 15 H LIG 1 3.721 2.335 -3.671 0.00 0.00 +0.166 HD ATOM 16 C LIG 1 4.458 0.391 0.280 0.00 0.00 +0.082 A ATOM 17 C LIG 1 5.545 2.446 -2.563 0.00 0.00 +0.102 A BRANCH 16 18 ATOM 18 C LIG 1 5.518 0.198 1.323 0.00 0.00 +0.419 C ATOM 19 F LIG 1 6.619 -0.414 0.820 0.00 0.00 -0.166 F ATOM 20 F LIG 1 5.916 1.376 1.865 0.00 0.00 -0.166 F ATOM 21 F LIG 1 5.093 -0.574 2.359 0.00 0.00 -0.166 F ENDBRANCH 16 18 BRANCH 7 23 ATOM 22 N LIG 1 8.242 2.238 -0.283 0.00 0.00 -0.191 NA ATOM 23 C LIG 1 7.191 2.081 -0.750 0.00 0.00 +0.101 C ENDBRANCH 7 23 ENDBRANCH 1 11 BRANCH 5 24 ATOM 24 C LIG 1 -2.693 -0.587 -1.417 0.00 0.00 -0.005 A ATOM 25 C LIG 1 -3.268 0.704 -1.409 0.00 0.00 +0.047 A ATOM 26 C LIG 1 -4.408 1.000 -2.166 0.00 0.00 +0.052 A ATOM 27 C LIG 1 -5.004 -0.004 -2.912 0.00 0.00 +0.124 A ATOM 28 F LIG 1 -6.102 0.268 -3.628 0.00 0.00 -0.205 F ATOM 29 C LIG 1 -4.482 -1.291 -2.925 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -3.331 -1.580 -2.187 0.00 0.00 +0.012 A BRANCH 25 31 ATOM 31 C LIG 1 -2.693 1.816 -0.621 0.00 0.00 +0.247 C ATOM 32 N LIG 1 -2.682 1.664 0.746 0.00 0.00 -0.292 N ATOM 33 C LIG 1 -2.476 2.740 1.712 0.00 0.00 +0.146 C ATOM 34 C LIG 1 -3.062 1.786 2.765 0.00 0.00 +0.200 C ATOM 35 F LIG 1 -3.961 2.316 3.627 0.00 0.00 -0.242 F ATOM 36 C LIG 1 -3.644 0.973 1.596 0.00 0.00 +0.146 C ATOM 37 O LIG 1 -2.268 2.807 -1.204 0.00 0.00 -0.270 OA ENDBRANCH 25 31 ENDBRANCH 5 24 BRANCH 3 38 ATOM 38 C LIG 1 -0.222 -3.137 2.181 0.00 0.00 +0.038 C ATOM 39 C LIG 1 -1.343 -3.272 3.183 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -1.068 -4.387 2.215 0.00 0.00 +0.010 C ENDBRANCH 3 38 TORSDOF 6