REMARK Name = BDB009431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.214 0.229 0.524 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.758 -0.981 0.015 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.453 -1.079 -0.551 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.555 -2.117 0.101 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.825 -2.033 0.678 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.317 -0.806 1.154 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.493 0.328 1.084 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 4.413 1.506 -1.627 0.00 0.00 -0.226 OA ATOM 9 C LIG 1 4.331 0.957 -0.534 0.00 0.00 +0.403 C ATOM 10 N LIG 1 3.512 1.410 0.492 0.00 0.00 -0.266 N ATOM 11 C LIG 1 2.640 2.551 0.198 0.00 0.00 +0.130 C ATOM 12 C LIG 1 1.492 2.808 1.181 0.00 0.00 +0.127 C ATOM 13 N LIG 1 0.630 1.639 1.365 0.00 0.00 -0.296 N ATOM 14 C LIG 1 -0.386 1.437 0.432 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.682 2.251 -0.440 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 1.035 0.684 2.396 0.00 0.00 +0.109 C ATOM 17 C LIG 1 2.306 -0.091 2.053 0.00 0.00 +0.038 C ATOM 18 C LIG 1 3.515 0.814 1.827 0.00 0.00 +0.112 C BRANCH 9 19 ATOM 19 O LIG 1 5.024 -0.161 -0.193 0.00 0.00 -0.445 OA BRANCH 19 20 ATOM 20 C LIG 1 5.918 -0.673 -1.186 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 C LIG 1 7.321 -0.218 -0.876 0.00 0.00 -0.010 A ATOM 22 C LIG 1 8.106 -0.909 0.058 0.00 0.00 +0.007 A ATOM 23 C LIG 1 9.397 -0.472 0.357 0.00 0.00 +0.000 A ATOM 24 C LIG 1 9.913 0.662 -0.269 0.00 0.00 +0.000 A ATOM 25 C LIG 1 9.136 1.365 -1.187 0.00 0.00 +0.000 A ATOM 26 C LIG 1 7.845 0.929 -1.488 0.00 0.00 +0.007 A ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 -4.692 -0.701 1.776 0.00 0.00 +0.094 C BRANCH 27 28 ATOM 28 C LIG 1 -5.789 -1.412 0.994 0.00 0.00 +0.087 A ATOM 29 C LIG 1 -6.242 -0.843 -0.324 0.00 0.00 +0.059 A ATOM 30 N LIG 1 -5.684 0.305 -0.863 0.00 0.00 -0.342 N ATOM 31 H LIG 1 -5.131 0.890 -0.244 0.00 0.00 +0.146 HD ATOM 32 C LIG 1 -6.295 0.987 -1.994 0.00 0.00 +0.102 C ATOM 33 C LIG 1 -6.824 -0.050 -2.982 0.00 0.00 +0.023 C ATOM 34 C LIG 1 -7.746 -1.063 -2.291 0.00 0.00 +0.044 C ATOM 35 C LIG 1 -7.214 -1.516 -0.958 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -7.795 -2.738 -0.359 0.00 0.00 +0.270 A ATOM 37 O LIG 1 -8.700 -3.360 -0.907 0.00 0.00 -0.266 OA ATOM 38 N LIG 1 -7.264 -3.131 0.840 0.00 0.00 -0.243 N ATOM 39 H LIG 1 -7.653 -3.965 1.267 0.00 0.00 +0.192 HD ATOM 40 N LIG 1 -6.279 -2.492 1.529 0.00 0.00 -0.174 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 6