REMARK Name = BDB058948 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.634 0.702 0.444 0.00 0.00 +0.044 A ATOM 2 C LIG 1 -2.024 2.024 0.553 0.00 0.00 +0.174 A ATOM 3 O LIG 1 -3.316 2.131 0.120 0.00 0.00 -0.354 OA ATOM 4 N LIG 1 -3.772 0.912 -0.330 0.00 0.00 -0.077 NA ATOM 5 C LIG 1 -2.763 0.056 -0.145 0.00 0.00 +0.121 A ENDROOT BRANCH 5 6 ATOM 6 C LIG 1 -2.888 -1.333 -0.568 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -2.720 -1.677 -1.928 0.00 0.00 +0.065 A ATOM 8 C LIG 1 -2.854 -3.026 -2.311 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -3.138 -4.016 -1.372 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -3.298 -3.674 -0.032 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -3.176 -2.341 0.371 0.00 0.00 +0.051 A ATOM 12 CL LIG 1 -3.387 -2.004 2.057 0.00 0.00 -0.083 Cl BRANCH 7 13 ATOM 13 C LIG 1 -2.429 -0.636 -2.986 0.00 0.00 +0.418 C ATOM 14 F LIG 1 -2.021 -1.189 -4.167 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -3.515 0.118 -3.302 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -1.438 0.234 -2.646 0.00 0.00 -0.166 F ENDBRANCH 7 13 ENDBRANCH 5 6 BRANCH 2 17 ATOM 17 C LIG 1 -1.209 3.257 1.047 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -1.757 4.519 1.135 0.00 0.00 +0.094 A ATOM 19 N LIG 1 -0.789 5.374 1.592 0.00 0.00 -0.366 N ATOM 20 H LIG 1 -0.913 6.366 1.753 0.00 0.00 +0.165 HD ATOM 21 C LIG 1 0.374 4.676 1.787 0.00 0.00 +0.083 A ATOM 22 C LIG 1 0.142 3.358 1.453 0.00 0.00 +0.030 A ENDBRANCH 2 17 BRANCH 1 23 ATOM 23 C LIG 1 -0.343 0.061 0.807 0.00 0.00 +0.143 C BRANCH 23 24 ATOM 24 N LIG 1 0.646 0.054 -0.264 0.00 0.00 -0.340 N ATOM 25 H LIG 1 0.576 0.869 -0.871 0.00 0.00 +0.146 HD BRANCH 24 29 ATOM 26 C LIG 1 4.635 -1.194 0.268 0.00 0.00 +0.059 A ATOM 27 C LIG 1 3.674 -1.557 1.215 0.00 0.00 +0.017 A ATOM 28 C LIG 1 2.348 -1.135 1.060 0.00 0.00 +0.024 A ATOM 29 C LIG 1 1.962 -0.335 -0.023 0.00 0.00 +0.027 A ATOM 30 C LIG 1 2.932 -0.032 -0.990 0.00 0.00 +0.024 A ATOM 31 C LIG 1 4.260 -0.449 -0.849 0.00 0.00 +0.017 A BRANCH 26 33 ATOM 32 O LIG 1 6.715 -2.004 -0.551 0.00 0.00 -0.245 OA ATOM 33 C LIG 1 6.045 -1.626 0.393 0.00 0.00 +0.337 C BRANCH 33 34 ATOM 34 O LIG 1 6.518 -1.513 1.652 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 5.929 -1.034 2.264 0.00 0.00 +0.295 HD ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8