REMARK Name = BDB025766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.132 -0.976 -0.021 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.428 0.252 0.014 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.969 0.257 -0.142 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.693 -0.931 -0.327 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.983 -2.133 -0.359 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.620 -3.303 -0.525 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.401 -2.158 -0.212 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.707 -2.818 -1.432 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.766 -1.379 -0.897 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.371 -1.202 0.445 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.725 -1.723 0.566 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.488 -1.526 1.591 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.332 -3.016 1.929 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.085 -0.860 1.458 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.513 -1.128 0.129 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.361 -0.715 -1.000 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.162 -0.896 -0.478 0.00 0.00 -0.039 C ATOM 18 C LIG 1 3.982 -0.154 0.550 0.00 0.00 +0.051 C ATOM 19 C LIG 1 5.426 0.106 0.080 0.00 0.00 +0.089 C ATOM 20 N LIG 1 6.019 -1.104 -0.513 0.00 0.00 -0.298 NA ATOM 21 C LIG 1 5.259 -1.491 -1.717 0.00 0.00 +0.112 C ATOM 22 C LIG 1 3.769 -1.485 -1.524 0.00 0.00 -0.007 C BRANCH 20 23 ATOM 23 C LIG 1 7.442 -0.933 -0.851 0.00 0.00 +0.093 C BRANCH 23 24 ATOM 24 C LIG 1 8.336 -0.940 0.387 0.00 0.00 +0.128 C BRANCH 24 25 ATOM 25 C LIG 1 9.789 -0.863 -0.014 0.00 0.00 +0.391 C ATOM 26 F LIG 1 10.046 0.266 -0.709 0.00 0.00 -0.171 F ATOM 27 F LIG 1 10.586 -0.861 1.077 0.00 0.00 -0.171 F ATOM 28 F LIG 1 10.150 -1.913 -0.782 0.00 0.00 -0.171 F ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.166 1.445 0.191 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.165 1.306 0.226 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.691 2.727 0.341 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.470 3.106 0.401 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.794 3.717 0.492 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.597 4.202 -0.625 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.573 5.102 -0.389 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -3.830 5.597 0.987 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -4.721 6.404 1.213 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.010 5.091 1.965 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -3.173 5.445 2.902 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -2.010 4.179 1.733 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.291 3.701 -2.002 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.569 2.377 -2.117 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.993 3.872 -2.344 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.030 4.327 -2.954 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 8