REMARK Name = BDB025811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.941 -0.050 0.607 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.006 0.981 0.338 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.411 2.321 0.299 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -1.750 2.686 0.526 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -2.657 1.651 0.796 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -3.953 1.930 1.006 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.269 0.311 0.838 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -2.829 -3.018 -0.946 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -1.323 -3.321 -0.860 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -0.931 -4.312 0.167 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -1.833 -5.442 0.318 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -0.523 -3.720 1.454 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -0.974 -2.263 1.686 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -0.503 -1.390 0.595 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -0.499 -2.003 -0.761 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 -2.174 4.094 0.480 0.00 0.00 +0.021 A ATOM 17 C LIG 1 -1.732 4.990 -0.483 0.00 0.00 +0.124 A ATOM 18 N LIG 1 -2.098 6.290 -0.556 0.00 0.00 -0.226 NA ATOM 19 C LIG 1 -2.953 6.710 0.395 0.00 0.00 +0.232 A ATOM 20 N LIG 1 -3.456 5.949 1.383 0.00 0.00 -0.226 NA ATOM 21 C LIG 1 -3.051 4.658 1.395 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 C LIG 1 -3.365 8.089 0.349 0.00 0.00 +0.140 C ATOM 23 N LIG 1 -3.699 9.203 0.314 0.00 0.00 -0.188 NA ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 24 ATOM 24 N LIG 1 1.329 0.564 0.148 0.00 0.00 -0.280 N ATOM 25 H LIG 1 1.437 -0.442 0.264 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 2.426 1.331 -0.149 0.00 0.00 +0.250 C ATOM 27 O LIG 1 2.479 2.543 -0.301 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.663 0.513 -0.273 0.00 0.00 +0.065 A ATOM 29 C LIG 1 4.024 -0.202 -1.491 0.00 0.00 +0.073 A ATOM 30 C LIG 1 5.164 -0.922 -1.514 0.00 0.00 +0.083 A ATOM 31 C LIG 1 6.043 -0.987 -0.320 0.00 0.00 +0.249 A ATOM 32 O LIG 1 7.073 -1.647 -0.327 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 5.620 -0.270 0.772 0.00 0.00 -0.328 N ATOM 34 H LIG 1 6.229 -0.302 1.583 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 4.463 0.469 0.803 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 3.122 -0.094 -2.680 0.00 0.00 +0.418 C ATOM 37 F LIG 1 1.903 -0.639 -2.431 0.00 0.00 -0.166 F ATOM 38 F LIG 1 2.918 1.187 -3.066 0.00 0.00 -0.166 F ATOM 39 F LIG 1 3.615 -0.752 -3.762 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 2 24 TORSDOF 6