REMARK Name = BDB025759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.419 -0.891 0.034 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.491 0.124 0.426 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.867 -0.035 0.229 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.388 -1.201 -0.360 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.473 -2.194 -0.735 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.903 -3.327 -1.313 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.097 -2.050 -0.545 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.202 -3.667 0.719 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.350 -2.672 -0.079 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.116 -1.968 -1.146 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.302 -1.275 -0.640 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.170 -1.069 -1.867 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.815 -0.359 -3.063 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.460 -0.038 -0.948 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.799 -0.666 0.223 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.580 -1.731 0.893 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.841 -1.359 -0.568 0.00 0.00 -0.015 A ATOM 18 C LIG 1 4.611 -0.331 -1.137 0.00 0.00 +0.012 A ATOM 19 C LIG 1 5.992 -0.469 -1.332 0.00 0.00 +0.046 A ATOM 20 C LIG 1 6.639 -1.645 -0.960 0.00 0.00 +0.130 A ATOM 21 C LIG 1 5.887 -2.676 -0.394 0.00 0.00 +0.046 A ATOM 22 C LIG 1 4.509 -2.536 -0.199 0.00 0.00 +0.012 A BRANCH 20 23 ATOM 23 O LIG 1 7.969 -1.920 -1.090 0.00 0.00 -0.406 OA BRANCH 23 24 ATOM 24 C LIG 1 8.796 -0.922 -1.662 0.00 0.00 +0.575 C ATOM 25 F LIG 1 8.415 -0.634 -2.925 0.00 0.00 -0.133 F ATOM 26 F LIG 1 10.066 -1.384 -1.704 0.00 0.00 -0.133 F ATOM 27 F LIG 1 8.788 0.206 -0.919 0.00 0.00 -0.133 F ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 28 ATOM 28 N LIG 1 -0.088 1.257 1.040 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.097 1.162 1.134 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 0.540 2.375 1.526 0.00 0.00 +0.250 C ATOM 31 O LIG 1 1.736 2.633 1.516 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -0.413 3.328 2.160 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -1.316 4.190 1.406 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -2.133 5.028 2.074 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -2.121 5.077 3.558 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -2.871 5.822 4.173 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -1.226 4.238 4.174 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -1.202 4.284 5.187 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -0.384 3.387 3.501 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -1.286 4.133 -0.089 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -1.765 2.948 -0.547 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.042 4.290 -0.596 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.061 5.095 -0.656 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 7