REMARK Name = BDB041166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.099 0.152 0.118 0.00 0.00 -0.312 N ATOM 2 C LIG 1 -1.341 0.832 -1.159 0.00 0.00 +0.131 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -4.577 0.129 1.104 0.00 0.00 +0.169 A ATOM 4 N LIG 1 -3.450 0.432 0.423 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 -2.291 -0.135 0.825 0.00 0.00 +0.161 A ATOM 6 C LIG 1 -2.283 -1.027 1.894 0.00 0.00 +0.181 A ATOM 7 F LIG 1 -1.167 -1.647 2.305 0.00 0.00 -0.200 F ATOM 8 C LIG 1 -3.481 -1.283 2.517 0.00 0.00 +0.155 A ATOM 9 N LIG 1 -4.646 -0.721 2.146 0.00 0.00 -0.232 NA BRANCH 3 11 ATOM 10 C LIG 1 -6.535 1.634 1.410 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.815 0.730 0.641 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -6.362 0.440 -0.609 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -7.518 1.021 -1.030 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -8.119 1.875 -0.195 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -7.685 2.220 1.018 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -5.700 -0.531 -1.573 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -6.539 -1.499 -2.377 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -5.679 -2.011 -1.263 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -6.855 2.844 3.402 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -6.011 1.986 2.643 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 3 11 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 C LIG 1 -0.079 0.791 0.967 0.00 0.00 +0.141 C BRANCH 21 22 ATOM 22 C LIG 1 1.310 0.596 0.392 0.00 0.00 -0.030 A ATOM 23 C LIG 1 2.142 1.695 0.142 0.00 0.00 +0.006 A ATOM 24 C LIG 1 3.426 1.508 -0.379 0.00 0.00 +0.012 A ATOM 25 C LIG 1 3.907 0.221 -0.644 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.073 -0.878 -0.408 0.00 0.00 +0.012 A ATOM 27 C LIG 1 1.790 -0.693 0.115 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 5.249 0.054 -1.200 0.00 0.00 +0.142 A ATOM 29 N LIG 1 6.274 -0.687 -0.642 0.00 0.00 -0.327 N ATOM 30 C LIG 1 7.349 -0.622 -1.494 0.00 0.00 +0.120 A ATOM 31 C LIG 1 6.969 0.211 -2.529 0.00 0.00 +0.162 A ATOM 32 N LIG 1 5.668 0.633 -2.312 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 7.767 0.647 -3.724 0.00 0.00 +0.436 C ATOM 34 F LIG 1 7.958 1.992 -3.755 0.00 0.00 -0.164 F ATOM 35 F LIG 1 9.008 0.084 -3.735 0.00 0.00 -0.164 F ATOM 36 F LIG 1 7.178 0.299 -4.898 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 6.268 -1.379 0.645 0.00 0.00 +0.083 C ATOM 38 C LIG 1 6.353 -2.894 0.464 0.00 0.00 +0.030 C ATOM 39 C LIG 1 7.375 -0.869 1.571 0.00 0.00 +0.030 C ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 9