REMARK Name = BDB058953 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.516 0.031 0.179 0.00 0.00 +0.111 A ATOM 2 C LIG 1 -2.003 1.324 0.206 0.00 0.00 +0.180 A ATOM 3 O LIG 1 -3.334 1.292 0.494 0.00 0.00 -0.353 OA ATOM 4 N LIG 1 -3.756 -0.013 0.627 0.00 0.00 -0.077 NA ATOM 5 C LIG 1 -2.670 -0.772 0.429 0.00 0.00 +0.128 A ENDROOT BRANCH 5 6 ATOM 6 C LIG 1 -2.766 -2.225 0.499 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -3.358 -2.952 -0.558 0.00 0.00 +0.065 A ATOM 8 C LIG 1 -3.451 -4.354 -0.455 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -2.957 -5.027 0.660 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -2.364 -4.310 1.695 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -2.269 -2.917 1.619 0.00 0.00 +0.051 A ATOM 12 CL LIG 1 -1.530 -2.102 2.959 0.00 0.00 -0.083 Cl BRANCH 7 13 ATOM 13 C LIG 1 -3.907 -2.266 -1.789 0.00 0.00 +0.418 C ATOM 14 F LIG 1 -4.120 -3.134 -2.823 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -3.085 -1.307 -2.297 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -5.110 -1.670 -1.569 0.00 0.00 -0.166 F ENDBRANCH 7 13 ENDBRANCH 5 6 BRANCH 2 17 ATOM 17 C LIG 1 -1.461 2.654 -0.025 0.00 0.00 +0.021 A ATOM 18 C LIG 1 -0.611 2.903 -1.112 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -0.068 4.174 -1.312 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -0.373 5.210 -0.432 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -1.227 4.978 0.645 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -1.770 3.707 0.846 0.00 0.00 +0.011 A ENDBRANCH 2 17 BRANCH 1 25 ATOM 23 N LIG 1 0.830 0.413 0.369 0.00 0.00 -0.281 N ATOM 24 H LIG 1 0.534 1.240 0.873 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -0.165 -0.439 -0.074 0.00 0.00 +0.254 C ATOM 26 O LIG 1 0.016 -1.527 -0.608 0.00 0.00 -0.270 OA BRANCH 23 30 ATOM 27 C LIG 1 5.033 0.115 0.048 0.00 0.00 +0.059 A ATOM 28 C LIG 1 4.234 -0.891 -0.505 0.00 0.00 +0.017 A ATOM 29 C LIG 1 2.838 -0.817 -0.412 0.00 0.00 +0.024 A ATOM 30 C LIG 1 2.225 0.258 0.235 0.00 0.00 +0.034 A ATOM 31 C LIG 1 3.030 1.264 0.786 0.00 0.00 +0.024 A ATOM 32 C LIG 1 4.424 1.195 0.694 0.00 0.00 +0.017 A BRANCH 27 34 ATOM 33 O LIG 1 7.268 0.921 0.425 0.00 0.00 -0.245 OA ATOM 34 C LIG 1 6.513 0.081 -0.028 0.00 0.00 +0.337 C BRANCH 34 35 ATOM 35 O LIG 1 6.979 -1.006 -0.668 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 7.953 -0.897 -0.641 0.00 0.00 +0.295 HD ENDBRANCH 34 35 ENDBRANCH 27 34 ENDBRANCH 23 30 ENDBRANCH 1 25 TORSDOF 7