REMARK Name = BDB064169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.531 0.269 1.217 0.00 0.00 +0.098 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 -0.443 -1.401 2.648 0.00 0.00 -0.276 OA ATOM 3 C LIG 1 -0.455 -0.841 1.552 0.00 0.00 +0.216 C ATOM 4 N LIG 1 -1.370 -1.186 0.558 0.00 0.00 -0.298 N ATOM 5 C LIG 1 -2.430 -2.140 0.933 0.00 0.00 +0.126 C ATOM 6 C LIG 1 -3.043 -2.868 -0.279 0.00 0.00 +0.127 C ATOM 7 N LIG 1 -3.431 -1.909 -1.327 0.00 0.00 -0.297 N ATOM 8 C LIG 1 -2.304 -1.080 -1.775 0.00 0.00 +0.127 C ATOM 9 C LIG 1 -1.675 -0.315 -0.594 0.00 0.00 +0.126 C BRANCH 7 10 ATOM 10 C LIG 1 -4.619 -1.224 -1.091 0.00 0.00 +0.218 A ATOM 11 N LIG 1 -5.545 -1.778 -0.291 0.00 0.00 -0.222 NA ATOM 12 C LIG 1 -6.704 -1.114 -0.099 0.00 0.00 +0.128 A ATOM 13 C LIG 1 -6.988 0.096 -0.676 0.00 0.00 +0.091 A ATOM 14 C LIG 1 -5.987 0.601 -1.463 0.00 0.00 +0.128 A ATOM 15 N LIG 1 -4.814 -0.030 -1.679 0.00 0.00 -0.222 NA BRANCH 13 16 ATOM 16 C LIG 1 -8.258 0.820 -0.435 0.00 0.00 +0.420 C ATOM 17 F LIG 1 -8.653 1.572 -1.499 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -8.171 1.681 0.616 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -9.303 -0.006 -0.155 0.00 0.00 -0.166 F ENDBRANCH 13 16 ENDBRANCH 7 10 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 1.567 0.470 2.325 0.00 0.00 +0.031 C BRANCH 20 21 ATOM 21 C LIG 1 2.623 1.552 2.057 0.00 0.00 +0.075 C ATOM 22 N LIG 1 3.353 1.323 0.793 0.00 0.00 -0.311 N ATOM 23 C LIG 1 3.226 2.482 -0.087 0.00 0.00 +0.107 C ATOM 24 C LIG 1 2.008 3.230 0.429 0.00 0.00 +0.021 C ATOM 25 C LIG 1 2.048 2.970 1.923 0.00 0.00 +0.024 C BRANCH 22 26 ATOM 26 C LIG 1 4.375 0.387 0.703 0.00 0.00 +0.143 A ATOM 27 N LIG 1 4.621 -0.392 1.726 0.00 0.00 -0.156 NA ATOM 28 N LIG 1 5.622 -1.308 1.630 0.00 0.00 -0.241 N ATOM 29 H LIG 1 5.775 -1.892 2.446 0.00 0.00 +0.192 HD ATOM 30 C LIG 1 6.427 -1.512 0.543 0.00 0.00 +0.277 A ATOM 31 O LIG 1 7.312 -2.358 0.539 0.00 0.00 -0.266 OA ATOM 32 C LIG 1 6.158 -0.651 -0.613 0.00 0.00 +0.124 A ATOM 33 C LIG 1 5.179 0.259 -0.546 0.00 0.00 +0.063 A BRANCH 32 34 ATOM 34 C LIG 1 7.024 -0.885 -1.786 0.00 0.00 +0.423 C ATOM 35 F LIG 1 6.907 -2.138 -2.291 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.700 -0.044 -2.811 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.336 -0.660 -1.530 0.00 0.00 -0.166 F ENDBRANCH 32 34 ENDBRANCH 22 26 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7