REMARK Name = BDB008351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.073 1.053 -0.421 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.406 2.387 -0.220 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.315 3.367 -0.783 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.472 2.722 0.606 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.226 1.712 1.210 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.933 0.358 0.974 0.00 0.00 -0.041 A ATOM 7 C LIG 1 0.839 0.034 0.157 0.00 0.00 +0.020 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -2.724 1.576 1.344 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -2.579 0.231 0.625 0.00 0.00 +0.141 C ATOM 10 N LIG 1 -2.292 0.391 -0.828 0.00 0.00 -0.286 N ATOM 11 C LIG 1 -1.023 0.710 -1.334 0.00 0.00 +0.250 C ATOM 12 O LIG 1 -0.743 0.663 -2.530 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -3.223 -0.175 -1.820 0.00 0.00 +0.133 C ATOM 14 C LIG 1 -4.702 -0.160 -1.417 0.00 0.00 +0.105 C ATOM 15 C LIG 1 -5.316 1.234 -1.529 0.00 0.00 +0.032 C ATOM 16 N LIG 1 -4.812 -0.703 -0.079 0.00 0.00 -0.302 N ATOM 17 C LIG 1 -5.776 -1.505 0.471 0.00 0.00 +0.238 A ATOM 18 N LIG 1 -5.389 -1.826 1.694 0.00 0.00 -0.125 NA ATOM 19 N LIG 1 -4.165 -1.246 1.931 0.00 0.00 -0.132 NA ATOM 20 C LIG 1 -3.821 -0.574 0.854 0.00 0.00 +0.154 A BRANCH 17 21 ATOM 21 C LIG 1 -7.006 -1.925 -0.241 0.00 0.00 +0.452 C ATOM 22 F LIG 1 -6.713 -2.702 -1.318 0.00 0.00 -0.163 F ATOM 23 F LIG 1 -7.868 -2.629 0.532 0.00 0.00 -0.163 F ATOM 24 F LIG 1 -7.693 -0.855 -0.724 0.00 0.00 -0.163 F ENDBRANCH 17 21 ENDBRANCH 1 11 BRANCH 6 25 ATOM 25 C LIG 1 2.753 -0.740 1.617 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 4.257 -0.540 1.480 0.00 0.00 +0.074 A ATOM 27 C LIG 1 4.935 -0.829 0.190 0.00 0.00 +0.011 A ATOM 28 C LIG 1 6.311 -0.612 0.133 0.00 0.00 +0.050 A ATOM 29 C LIG 1 7.025 -0.857 -1.047 0.00 0.00 +0.014 A ATOM 30 C LIG 1 6.355 -1.321 -2.177 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.979 -1.540 -2.127 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.011 -0.120 1.330 0.00 0.00 +0.272 A ATOM 33 O LIG 1 8.220 0.083 1.326 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 6.233 0.095 2.440 0.00 0.00 -0.242 N ATOM 35 H LIG 1 6.701 0.431 3.276 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 4.268 -1.298 -0.948 0.00 0.00 +0.010 A ATOM 37 N LIG 1 4.891 -0.103 2.530 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4