REMARK Name = BDB026565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.206 -0.492 0.275 0.00 0.00 +0.076 C ATOM 2 C LIG 1 -0.946 -1.071 1.137 0.00 0.00 +0.037 C ATOM 3 C LIG 1 -2.308 -0.391 0.886 0.00 0.00 +0.055 C ATOM 4 C LIG 1 -3.326 -1.009 1.855 0.00 0.00 +0.024 C ATOM 5 N LIG 1 -2.272 1.075 1.074 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -0.905 1.621 1.132 0.00 0.00 +0.086 C ATOM 7 C LIG 1 -0.007 1.025 0.051 0.00 0.00 +0.034 C ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.478 -0.815 1.056 0.00 0.00 +0.311 C ATOM 9 O LIG 1 1.927 -1.938 1.238 0.00 0.00 -0.250 OA BRANCH 8 10 ATOM 10 O LIG 1 2.081 0.245 1.622 0.00 0.00 -0.480 OA ATOM 11 H LIG 1 2.913 -0.123 1.986 0.00 0.00 +0.295 HD ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 12 ATOM 12 C LIG 1 0.280 -1.233 -1.089 0.00 0.00 +0.076 C BRANCH 12 20 ATOM 13 C LIG 1 3.469 0.075 -2.468 0.00 0.00 +0.161 A ATOM 14 C LIG 1 3.152 0.330 -3.804 0.00 0.00 +0.184 A ATOM 15 F LIG 1 4.086 0.840 -4.624 0.00 0.00 -0.200 F ATOM 16 C LIG 1 1.871 0.069 -4.269 0.00 0.00 +0.116 A ATOM 17 CL LIG 1 1.458 0.386 -5.911 0.00 0.00 -0.077 Cl ATOM 18 C LIG 1 0.923 -0.443 -3.396 0.00 0.00 +0.166 A ATOM 19 F LIG 1 -0.327 -0.698 -3.812 0.00 0.00 -0.202 F ATOM 20 C LIG 1 1.283 -0.673 -2.075 0.00 0.00 +0.081 A ATOM 21 N LIG 1 2.540 -0.436 -1.621 0.00 0.00 -0.231 NA BRANCH 13 22 ATOM 22 N LIG 1 4.789 0.315 -2.034 0.00 0.00 -0.281 N ATOM 23 H LIG 1 5.199 1.113 -2.509 0.00 0.00 +0.155 HD BRANCH 22 29 ATOM 24 C LIG 1 6.073 -1.774 2.288 0.00 0.00 +0.065 C ATOM 25 C LIG 1 5.915 -0.961 1.065 0.00 0.00 +0.035 A ATOM 26 N LIG 1 6.739 0.084 0.758 0.00 0.00 -0.280 N ATOM 27 H LIG 1 7.530 0.436 1.289 0.00 0.00 +0.189 HD ATOM 28 N LIG 1 6.437 0.688 -0.402 0.00 0.00 -0.158 NA ATOM 29 C LIG 1 5.379 0.015 -0.860 0.00 0.00 +0.146 A ATOM 30 C LIG 1 5.029 -1.039 0.013 0.00 0.00 +0.068 A ENDBRANCH 22 29 ENDBRANCH 13 22 ENDBRANCH 12 20 ENDBRANCH 1 12 BRANCH 5 31 ATOM 31 C LIG 1 -3.079 1.814 0.079 0.00 0.00 +0.122 C BRANCH 31 32 ATOM 32 C LIG 1 -4.570 1.645 0.228 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -5.258 2.305 1.255 0.00 0.00 +0.146 A ATOM 34 F LIG 1 -4.580 3.109 2.089 0.00 0.00 -0.204 F ATOM 35 C LIG 1 -6.635 2.148 1.407 0.00 0.00 +0.076 A ATOM 36 CL LIG 1 -7.478 2.961 2.671 0.00 0.00 -0.081 Cl ATOM 37 C LIG 1 -7.347 1.331 0.528 0.00 0.00 +0.023 A ATOM 38 C LIG 1 -6.678 0.674 -0.504 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -5.298 0.831 -0.656 0.00 0.00 +0.008 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8