REMARK Name = BDB026007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.028 -0.209 0.725 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.233 0.931 0.465 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.157 0.819 0.349 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.802 -0.424 0.490 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.991 -1.542 0.741 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.543 -2.756 0.892 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.396 -1.447 0.855 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.264 -0.538 0.375 0.00 0.00 +0.021 A ATOM 9 C LIG 1 4.146 0.377 0.913 0.00 0.00 +0.124 A ATOM 10 N LIG 1 5.494 0.300 0.821 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 6.018 -0.740 0.156 0.00 0.00 +0.218 A ATOM 12 N LIG 1 5.249 -1.688 -0.403 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 3.907 -1.567 -0.282 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 7.390 -0.858 0.067 0.00 0.00 -0.295 N ATOM 15 C LIG 1 7.910 -1.850 -0.877 0.00 0.00 +0.136 C ATOM 16 C LIG 1 9.446 -1.808 -0.870 0.00 0.00 +0.179 C ATOM 17 O LIG 1 9.991 -0.533 -1.246 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 9.124 0.571 -0.937 0.00 0.00 +0.179 C ATOM 19 C LIG 1 8.219 0.331 0.283 0.00 0.00 +0.136 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -4.108 -1.758 0.521 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -3.198 -0.746 -0.226 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -2.428 -0.038 0.828 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -2.989 -0.414 2.141 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -4.365 -0.985 1.819 0.00 0.00 +0.039 C BRANCH 20 25 ATOM 25 N LIG 1 -5.334 -2.158 -0.181 0.00 0.00 -0.298 NA BRANCH 25 27 ATOM 26 C LIG 1 -5.737 -4.196 1.316 0.00 0.00 +0.020 C ATOM 27 C LIG 1 -6.281 -2.966 0.596 0.00 0.00 +0.081 C ENDBRANCH 25 27 BRANCH 25 28 ATOM 28 C LIG 1 -5.150 -2.606 -1.567 0.00 0.00 +0.081 C ATOM 29 C LIG 1 -4.268 -3.827 -1.793 0.00 0.00 +0.020 C ENDBRANCH 25 28 ENDBRANCH 20 25 ENDBRANCH 1 22 BRANCH 2 30 ATOM 30 N LIG 1 -0.945 2.140 0.324 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.951 1.994 0.409 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.448 3.401 0.121 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.727 3.742 0.080 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.523 4.428 0.002 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.478 4.486 -1.101 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.405 5.465 -1.115 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -3.461 6.474 -0.028 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -4.309 7.356 -0.026 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.507 6.347 0.951 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -2.531 7.047 1.684 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -1.556 5.357 0.970 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.375 3.481 -2.205 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.118 3.374 -2.699 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.754 2.246 -1.789 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.178 3.788 -3.258 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 9