REMARK Name = BDB036039 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.913 -1.382 0.234 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.294 -2.268 -0.680 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.911 -2.211 -0.945 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.169 -1.247 -0.267 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.293 -0.945 -0.334 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.458 0.166 0.595 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.760 0.517 1.188 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -1.032 1.367 2.015 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.781 -0.381 0.631 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.136 -0.422 0.899 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.720 0.779 0.826 0.00 0.00 +0.037 A ATOM 12 C LIG 1 2.878 0.302 0.185 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.169 0.858 0.379 0.00 0.00 -0.032 A ATOM 14 C LIG 1 4.245 1.952 1.256 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.115 2.451 1.901 0.00 0.00 +0.002 A ATOM 16 C LIG 1 1.866 1.866 1.688 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.444 0.235 -0.367 0.00 0.00 +0.056 C ATOM 18 C LIG 1 5.437 0.373 -1.937 0.00 0.00 +0.024 C ATOM 19 C LIG 1 6.975 0.557 -1.885 0.00 0.00 +0.005 C ATOM 20 C LIG 1 6.793 1.038 -0.419 0.00 0.00 +0.024 C BRANCH 17 21 ATOM 21 C LIG 1 5.670 -1.263 0.122 0.00 0.00 +0.144 A ATOM 22 N LIG 1 5.873 -1.702 1.402 0.00 0.00 -0.320 N ATOM 23 C LIG 1 5.930 -0.926 2.610 0.00 0.00 +0.151 C ATOM 24 C LIG 1 6.000 -3.055 1.318 0.00 0.00 +0.224 A ATOM 25 N LIG 1 5.885 -3.429 0.066 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 5.672 -2.301 -0.689 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 C LIG 1 7.657 1.460 -2.910 0.00 0.00 +0.122 C BRANCH 27 28 ATOM 28 C LIG 1 7.111 2.822 -2.945 0.00 0.00 +0.063 C ATOM 29 N LIG 1 6.683 3.901 -2.958 0.00 0.00 -0.197 NA ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 -1.252 -3.153 -1.916 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -2.123 -3.989 -2.544 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.584 -2.495 -2.902 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -0.332 -3.952 -1.311 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 -5.404 -1.463 0.495 0.00 0.00 +0.119 C BRANCH 34 38 ATOM 35 C LIG 1 -7.755 2.084 1.619 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -8.111 1.173 0.442 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -7.492 -0.232 0.602 0.00 0.00 +0.088 C ATOM 38 N LIG 1 -6.120 -0.247 0.092 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 -6.085 -0.036 -1.367 0.00 0.00 +0.085 C ATOM 40 C LIG 1 -7.255 0.803 -1.903 0.00 0.00 +0.016 C ATOM 41 C LIG 1 -7.699 1.842 -0.884 0.00 0.00 +0.006 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 8