REMARK Name = BDB016771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.033 1.582 -0.116 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.364 2.752 -0.522 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.970 2.721 -0.647 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.206 1.593 -0.380 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.143 1.993 -0.629 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.208 3.276 -1.017 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.866 0.423 0.038 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.072 3.678 -1.029 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -0.272 4.631 -1.309 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.263 0.440 0.167 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -8.387 -0.850 1.138 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -7.430 0.126 0.822 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.546 -0.103 -0.222 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.424 0.702 -0.813 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.533 1.556 0.067 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -4.927 -0.150 -1.959 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.669 -1.320 -1.944 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -5.540 -2.051 -2.626 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -4.063 0.157 -2.764 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.464 2.197 -0.942 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.635 -1.306 -0.936 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.562 -2.285 -0.655 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -8.448 -2.048 0.401 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -10.198 -1.461 2.558 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -9.203 -0.515 2.186 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 2.289 1.141 -0.480 0.00 0.00 +0.031 C ATOM 27 C LIG 1 3.558 1.521 -0.713 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 4.728 0.644 -0.571 0.00 0.00 -0.020 A ATOM 29 C LIG 1 5.792 0.785 -1.468 0.00 0.00 +0.046 A ATOM 30 C LIG 1 6.929 -0.014 -1.344 0.00 0.00 +0.131 A ATOM 31 F LIG 1 7.912 0.133 -2.244 0.00 0.00 -0.205 F ATOM 32 C LIG 1 7.049 -0.961 -0.328 0.00 0.00 +0.037 A ATOM 33 C LIG 1 5.988 -1.083 0.569 0.00 0.00 +0.131 A ATOM 34 F LIG 1 6.058 -1.972 1.570 0.00 0.00 -0.205 F ATOM 35 C LIG 1 4.843 -0.293 0.461 0.00 0.00 +0.046 A BRANCH 32 36 ATOM 36 C LIG 1 8.283 -1.811 -0.197 0.00 0.00 +0.124 C BRANCH 36 37 ATOM 37 N LIG 1 9.427 -1.101 0.406 0.00 0.00 -0.304 NA ATOM 38 C LIG 1 9.227 -0.864 1.837 0.00 0.00 +0.104 C ATOM 39 C LIG 1 10.656 -1.869 0.199 0.00 0.00 +0.104 C ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6