REMARK Name = BDB025799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.292 -1.053 0.581 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.812 0.194 0.115 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.563 0.420 -0.022 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.502 -0.579 0.300 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.999 -1.807 0.758 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.841 -2.800 1.085 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.367 -2.048 0.897 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 2.945 -0.337 0.161 0.00 0.00 +0.021 A ATOM 9 C LIG 1 3.834 -1.260 -0.352 0.00 0.00 +0.124 A ATOM 10 N LIG 1 5.164 -1.056 -0.496 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 5.663 0.129 -0.109 0.00 0.00 +0.218 A ATOM 12 N LIG 1 4.886 1.092 0.408 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 3.562 0.841 0.530 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 7.037 0.352 -0.217 0.00 0.00 -0.295 N ATOM 15 C LIG 1 7.699 -0.486 -1.228 0.00 0.00 +0.136 C ATOM 16 C LIG 1 9.214 -0.231 -1.213 0.00 0.00 +0.179 C ATOM 17 O LIG 1 9.519 1.162 -1.385 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 8.932 1.925 -0.319 0.00 0.00 +0.179 C ATOM 19 C LIG 1 7.403 1.775 -0.290 0.00 0.00 +0.136 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -4.512 -2.683 0.021 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -3.234 -1.971 -0.510 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -2.684 -1.242 0.657 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -3.223 -1.868 1.882 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -3.982 -3.104 1.400 0.00 0.00 +0.039 C BRANCH 20 26 ATOM 25 C LIG 1 -6.911 -2.700 0.439 0.00 0.00 +0.104 C ATOM 26 N LIG 1 -5.740 -1.858 0.167 0.00 0.00 -0.304 NA ATOM 27 C LIG 1 -6.014 -1.023 -1.003 0.00 0.00 +0.104 C ENDBRANCH 20 26 ENDBRANCH 1 22 BRANCH 2 28 ATOM 28 N LIG 1 -1.808 1.159 -0.159 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.739 0.803 0.060 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.657 2.387 -0.759 0.00 0.00 +0.252 C ATOM 31 O LIG 1 -0.613 2.820 -1.234 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.887 3.162 -0.869 0.00 0.00 +0.086 A ATOM 33 C LIG 1 -3.993 3.304 0.026 0.00 0.00 +0.177 A ATOM 34 N LIG 1 -4.929 4.132 -0.488 0.00 0.00 -0.169 NA ATOM 35 N LIG 1 -4.403 4.555 -1.646 0.00 0.00 -0.283 N ATOM 36 H LIG 1 -4.932 5.222 -2.201 0.00 0.00 +0.188 HD ATOM 37 C LIG 1 -3.188 4.013 -1.917 0.00 0.00 +0.118 A BRANCH 33 38 ATOM 38 C LIG 1 -4.135 2.666 1.381 0.00 0.00 +0.437 C ATOM 39 F LIG 1 -3.030 2.867 2.149 0.00 0.00 -0.164 F ATOM 40 F LIG 1 -5.195 3.125 2.097 0.00 0.00 -0.164 F ATOM 41 F LIG 1 -4.289 1.321 1.269 0.00 0.00 -0.164 F ENDBRANCH 33 38 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 7