REMARK Name = BDB004710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.934 3.056 0.996 0.00 0.00 +0.064 A ATOM 2 C LIG 1 0.194 2.345 1.443 0.00 0.00 +0.088 A ATOM 3 C LIG 1 0.209 0.957 1.223 0.00 0.00 +0.043 A ATOM 4 C LIG 1 1.366 0.263 1.641 0.00 0.00 +0.130 A ATOM 5 N LIG 1 2.374 0.879 2.278 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 2.258 2.192 2.456 0.00 0.00 +0.223 A ATOM 7 C LIG 1 -0.906 0.320 0.613 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -2.042 1.018 0.215 0.00 0.00 +0.029 A ATOM 9 N LIG 1 1.232 2.953 2.060 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -2.018 2.399 0.379 0.00 0.00 +0.038 A ENDROOT BRANCH 1 14 ATOM 11 N LIG 1 -0.016 5.254 1.606 0.00 0.00 -0.325 N ATOM 12 H LIG 1 -0.131 6.244 1.768 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 0.816 4.782 1.948 0.00 0.00 +0.145 HD ATOM 14 C LIG 1 -1.077 4.539 1.137 0.00 0.00 +0.244 C ATOM 15 O LIG 1 -2.119 5.116 0.841 0.00 0.00 -0.270 OA ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 N LIG 1 1.454 -1.127 1.423 0.00 0.00 -0.324 N ATOM 17 H LIG 1 1.266 -1.316 0.443 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 2.672 -1.801 1.859 0.00 0.00 +0.138 C BRANCH 18 19 ATOM 19 C LIG 1 3.700 -1.832 0.747 0.00 0.00 -0.030 A ATOM 20 C LIG 1 4.713 -0.864 0.682 0.00 0.00 +0.019 A ATOM 21 C LIG 1 5.662 -0.857 -0.360 0.00 0.00 +0.073 A ATOM 22 C LIG 1 5.576 -1.846 -1.345 0.00 0.00 +0.053 A ATOM 23 CL LIG 1 6.689 -1.928 -2.662 0.00 0.00 -0.083 Cl ATOM 24 C LIG 1 4.568 -2.814 -1.293 0.00 0.00 +0.021 A ATOM 25 C LIG 1 3.634 -2.806 -0.256 0.00 0.00 +0.006 A BRANCH 21 26 ATOM 26 C LIG 1 6.731 0.201 -0.396 0.00 0.00 +0.419 C ATOM 27 F LIG 1 6.684 0.972 -1.517 0.00 0.00 -0.166 F ATOM 28 F LIG 1 7.991 -0.311 -0.332 0.00 0.00 -0.166 F ATOM 29 F LIG 1 6.649 1.080 0.646 0.00 0.00 -0.166 F ENDBRANCH 21 26 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 4 16 BRANCH 8 30 ATOM 30 N LIG 1 -3.119 0.436 -0.451 0.00 0.00 -0.340 N ATOM 31 H LIG 1 -3.967 0.998 -0.395 0.00 0.00 +0.146 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.399 -0.986 -0.290 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 C LIG 1 -4.717 -1.314 -0.951 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -4.828 -1.306 -2.349 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -6.045 -1.598 -2.966 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.165 -1.896 -2.191 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.069 -1.899 -0.800 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.852 -1.607 -0.182 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 8 30 TORSDOF 8