REMARK Name = BDB009165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.122 -0.374 -0.769 0.00 0.00 +0.079 A ATOM 2 C LIG 1 -2.025 -0.527 -2.161 0.00 0.00 +0.145 A ATOM 3 F LIG 1 -2.837 0.162 -2.979 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -1.034 -1.316 -2.740 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -0.101 -1.961 -1.933 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.150 -1.812 -0.541 0.00 0.00 -0.040 A ATOM 7 C LIG 1 -1.171 -1.031 0.029 0.00 0.00 +0.030 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 -4.834 -0.638 -1.396 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 -4.452 0.300 -0.694 0.00 0.00 +0.226 C ATOM 10 N LIG 1 -3.149 0.454 -0.190 0.00 0.00 -0.208 N ATOM 11 C LIG 1 -2.820 1.272 0.902 0.00 0.00 +0.226 C ATOM 12 O LIG 1 -1.686 1.393 1.377 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -3.922 2.141 1.475 0.00 0.00 +0.097 C ATOM 14 C LIG 1 -5.306 1.597 1.214 0.00 0.00 +0.018 C ATOM 15 C LIG 1 -5.444 1.353 -0.269 0.00 0.00 +0.097 C ENDBRANCH 1 10 BRANCH 6 16 ATOM 16 C LIG 1 0.872 -2.492 0.342 0.00 0.00 +0.092 C BRANCH 16 17 ATOM 17 C LIG 1 2.306 -2.066 0.038 0.00 0.00 +0.069 A ATOM 18 C LIG 1 2.796 -0.724 0.486 0.00 0.00 -0.016 A ATOM 19 C LIG 1 1.911 0.209 1.267 0.00 0.00 +0.037 C ATOM 20 C LIG 1 2.677 1.355 1.934 0.00 0.00 +0.005 C ATOM 21 C LIG 1 3.692 1.965 0.975 0.00 0.00 +0.005 C ATOM 22 C LIG 1 4.699 0.914 0.503 0.00 0.00 +0.041 C ATOM 23 C LIG 1 4.060 -0.404 0.159 0.00 0.00 +0.023 A ATOM 24 C LIG 1 4.905 -1.370 -0.587 0.00 0.00 +0.268 A ATOM 25 O LIG 1 6.067 -1.118 -0.887 0.00 0.00 -0.266 OA ATOM 26 N LIG 1 4.309 -2.558 -0.914 0.00 0.00 -0.243 N ATOM 27 H LIG 1 4.870 -3.232 -1.424 0.00 0.00 +0.192 HD ATOM 28 N LIG 1 3.033 -2.920 -0.621 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 6 16 TORSDOF 3