REMARK Name = BDB028075 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.706 0.824 -0.668 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.576 1.367 -0.619 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.975 2.505 -0.453 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.508 0.250 -0.833 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.890 0.280 -0.872 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.565 -0.930 -1.077 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.822 -2.126 -1.238 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.414 -2.139 -1.204 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.773 -0.922 -0.993 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.686 -0.611 -0.888 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -2.937 3.482 0.260 0.00 0.00 +0.217 A ATOM 12 N LIG 1 -1.804 2.828 -0.043 0.00 0.00 -0.198 NA ATOM 13 C LIG 1 -1.893 1.546 -0.427 0.00 0.00 +0.132 A ATOM 14 C LIG 1 -3.138 0.925 -0.560 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -4.341 1.586 -0.238 0.00 0.00 -0.028 A ATOM 16 C LIG 1 -4.197 2.912 0.192 0.00 0.00 +0.071 A BRANCH 15 17 ATOM 17 C LIG 1 -5.764 0.854 -0.339 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -6.132 0.176 -1.692 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -7.486 0.702 -1.602 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -6.998 1.734 -0.700 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -6.055 -0.003 0.914 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -5.347 -1.318 0.916 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -5.949 -2.545 0.781 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -7.352 -2.828 0.642 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -4.945 -3.464 0.793 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -3.793 -2.853 0.933 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -4.048 -1.509 1.036 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 15 17 BRANCH 11 28 ATOM 28 O LIG 1 -2.882 4.798 0.677 0.00 0.00 -0.477 OA BRANCH 28 30 ATOM 29 C LIG 1 -1.617 6.755 1.179 0.00 0.00 +0.048 C ATOM 30 C LIG 1 -1.547 5.311 0.718 0.00 0.00 +0.227 C ENDBRANCH 28 30 ENDBRANCH 11 28 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 0.642 -3.422 -1.353 0.00 0.00 +0.418 C ATOM 32 F LIG 1 0.206 -3.908 -0.161 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.362 -4.425 -1.929 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -0.469 -3.276 -2.128 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.081 -0.967 -1.117 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 N LIG 1 5.661 -1.766 -0.031 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 7.074 -2.092 -0.256 0.00 0.00 +0.088 C ATOM 38 C LIG 1 8.096 -1.270 0.546 0.00 0.00 +0.000 C ATOM 39 C LIG 1 8.214 0.170 0.039 0.00 0.00 +0.009 C ATOM 40 C LIG 1 7.790 -1.313 2.053 0.00 0.00 +0.006 C ATOM 41 C LIG 1 6.349 -1.718 2.360 0.00 0.00 +0.016 C ATOM 42 C LIG 1 5.383 -1.202 1.297 0.00 0.00 +0.085 C ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9