REMARK Name = BDB025717 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.814 -0.753 0.240 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.023 0.426 0.275 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.374 0.350 0.388 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.033 -0.884 0.524 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.230 -2.031 0.547 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.787 -3.242 0.705 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.158 -1.972 0.413 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -2.369 -2.315 -2.756 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.379 -1.379 -2.081 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.408 -2.131 -1.316 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.644 -1.343 -1.223 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.955 -2.529 0.041 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.297 -3.913 0.002 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.126 -1.482 0.840 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.194 -0.672 0.040 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.661 -0.254 -1.296 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.496 -0.959 0.652 0.00 0.00 +0.021 A ATOM 18 C LIG 1 4.247 -0.075 1.401 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.592 -0.120 1.535 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 6.256 -1.093 0.889 0.00 0.00 +0.217 A ATOM 21 N LIG 1 5.620 -2.005 0.135 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 4.274 -1.919 0.036 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.647 -1.145 0.986 0.00 0.00 -0.306 N ATOM 24 C LIG 1 8.223 -2.440 0.667 0.00 0.00 +0.132 C ATOM 25 C LIG 1 8.195 -0.445 2.136 0.00 0.00 +0.132 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 26 ATOM 26 N LIG 1 -0.727 1.653 0.263 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.734 1.522 0.268 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -0.220 2.925 0.375 0.00 0.00 +0.250 C ATOM 29 O LIG 1 0.950 3.267 0.461 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -1.294 3.955 0.437 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -1.990 4.464 -0.738 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -2.940 5.408 -0.580 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -3.279 5.923 0.770 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -4.151 6.767 0.925 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -2.559 5.389 1.810 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -2.776 5.756 2.730 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -1.584 4.434 1.657 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -1.612 3.931 -2.083 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -1.945 2.620 -2.202 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -0.288 4.036 -2.338 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.256 4.575 -3.092 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 6