REMARK Name = BDB062262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.610 0.627 -0.180 0.00 0.00 +0.044 A ATOM 2 C LIG 1 -2.100 1.832 -0.649 0.00 0.00 +0.174 A ATOM 3 O LIG 1 -3.415 1.932 -0.296 0.00 0.00 -0.354 OA ATOM 4 N LIG 1 -3.801 0.827 0.429 0.00 0.00 -0.077 NA ATOM 5 C LIG 1 -2.714 0.056 0.523 0.00 0.00 +0.121 A ENDROOT BRANCH 5 6 ATOM 6 C LIG 1 -2.765 -1.199 1.264 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -3.270 -2.368 0.652 0.00 0.00 +0.065 A ATOM 8 C LIG 1 -3.321 -3.562 1.398 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -2.873 -3.603 2.717 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -2.370 -2.451 3.315 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -2.317 -1.253 2.597 0.00 0.00 +0.051 A ATOM 12 CL LIG 1 -1.686 0.134 3.421 0.00 0.00 -0.083 Cl BRANCH 7 13 ATOM 13 C LIG 1 -3.753 -2.367 -0.780 0.00 0.00 +0.418 C ATOM 14 F LIG 1 -4.011 -3.622 -1.252 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -4.901 -1.666 -0.966 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -2.832 -1.850 -1.643 0.00 0.00 -0.166 F ENDBRANCH 7 13 ENDBRANCH 5 6 BRANCH 2 17 ATOM 17 C LIG 1 -1.373 2.958 -1.444 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -0.051 3.010 -1.823 0.00 0.00 +0.094 A ATOM 19 N LIG 1 0.150 4.189 -2.499 0.00 0.00 -0.366 N ATOM 20 H LIG 1 1.031 4.494 -2.896 0.00 0.00 +0.165 HD ATOM 21 C LIG 1 -1.024 4.892 -2.549 0.00 0.00 +0.083 A ATOM 22 C LIG 1 -1.987 4.153 -1.899 0.00 0.00 +0.030 A ENDBRANCH 2 17 BRANCH 1 23 ATOM 23 C LIG 1 -0.260 0.025 -0.344 0.00 0.00 +0.143 C BRANCH 23 24 ATOM 24 N LIG 1 0.732 0.487 0.621 0.00 0.00 -0.339 N ATOM 25 H LIG 1 0.586 1.455 0.902 0.00 0.00 +0.146 HD BRANCH 24 30 ATOM 26 C LIG 1 4.826 -0.548 0.437 0.00 0.00 +0.094 A ATOM 27 C LIG 1 3.893 -1.268 -0.303 0.00 0.00 +0.139 A ATOM 28 F LIG 1 4.252 -2.298 -1.083 0.00 0.00 -0.205 F ATOM 29 C LIG 1 2.534 -0.934 -0.267 0.00 0.00 +0.062 A ATOM 30 C LIG 1 2.076 0.149 0.488 0.00 0.00 +0.030 A ATOM 31 C LIG 1 3.018 0.849 1.256 0.00 0.00 +0.024 A ATOM 32 C LIG 1 4.378 0.519 1.224 0.00 0.00 +0.019 A BRANCH 26 34 ATOM 33 O LIG 1 7.131 -0.135 0.929 0.00 0.00 -0.245 OA ATOM 34 C LIG 1 6.273 -0.849 0.440 0.00 0.00 +0.340 C BRANCH 34 35 ATOM 35 O LIG 1 6.591 -2.020 -0.129 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 7.565 -2.082 -0.042 0.00 0.00 +0.295 HD ENDBRANCH 34 35 ENDBRANCH 26 34 ENDBRANCH 24 30 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8