REMARK Name = BDB011004 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.502 0.545 -1.885 0.00 0.00 -0.031 A ATOM 2 C LIG 1 2.876 1.396 -0.939 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.517 1.122 -0.721 0.00 0.00 +0.094 A ATOM 4 C LIG 1 0.849 0.076 -1.440 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.446 0.069 -0.998 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -0.526 1.051 -0.031 0.00 0.00 -0.239 N ATOM 7 C LIG 1 1.400 -0.785 -2.391 0.00 0.00 +0.066 A ATOM 8 N LIG 1 0.653 1.708 0.117 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 2.780 -0.489 -2.578 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.649 1.382 0.782 0.00 0.00 +0.066 A ATOM 11 C LIG 1 -2.894 0.747 0.610 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -4.006 1.029 1.438 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -3.794 1.983 2.455 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -2.572 2.634 2.629 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -1.502 2.339 1.792 0.00 0.00 +0.028 A BRANCH 12 16 ATOM 16 C LIG 1 -5.443 0.309 1.276 0.00 0.00 +0.060 C ATOM 17 C LIG 1 -6.681 1.267 1.111 0.00 0.00 +0.051 C ATOM 18 C LIG 1 -6.531 1.107 -0.416 0.00 0.00 +0.130 C ATOM 19 C LIG 1 -5.867 -0.257 -0.120 0.00 0.00 +0.051 C BRANCH 16 20 ATOM 20 C LIG 1 -5.645 -0.724 2.452 0.00 0.00 +0.144 A ATOM 21 N LIG 1 -5.173 -2.005 2.539 0.00 0.00 -0.320 N ATOM 22 C LIG 1 -4.398 -2.733 1.572 0.00 0.00 +0.151 C ATOM 23 C LIG 1 -5.577 -2.474 3.747 0.00 0.00 +0.224 A ATOM 24 N LIG 1 -6.256 -1.542 4.374 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 -6.299 -0.437 3.560 0.00 0.00 -0.134 NA ENDBRANCH 16 20 BRANCH 18 26 ATOM 26 O LIG 1 -7.763 1.065 -1.158 0.00 0.00 -0.288 OA BRANCH 26 27 ATOM 27 C LIG 1 -7.610 1.011 -2.561 0.00 0.00 +0.525 C ATOM 28 F LIG 1 -7.064 2.159 -3.005 0.00 0.00 -0.144 F ATOM 29 F LIG 1 -6.808 -0.019 -2.899 0.00 0.00 -0.144 F ATOM 30 F LIG 1 -8.815 0.839 -3.137 0.00 0.00 -0.144 F ENDBRANCH 26 27 ENDBRANCH 18 26 ENDBRANCH 12 16 ENDBRANCH 6 10 BRANCH 7 31 ATOM 31 C LIG 1 0.700 -1.884 -3.119 0.00 0.00 +0.418 C ATOM 32 F LIG 1 -0.340 -1.439 -3.874 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.510 -2.574 -3.970 0.00 0.00 -0.166 F ATOM 34 F LIG 1 0.170 -2.814 -2.276 0.00 0.00 -0.166 F ENDBRANCH 7 31 BRANCH 1 35 ATOM 35 C LIG 1 4.980 0.752 -2.198 0.00 0.00 +0.119 C BRANCH 35 39 ATOM 36 C LIG 1 6.869 -1.770 1.646 0.00 0.00 +0.009 C ATOM 37 C LIG 1 6.982 -0.530 0.759 0.00 0.00 +0.000 C ATOM 38 C LIG 1 5.824 -0.457 -0.248 0.00 0.00 +0.088 C ATOM 39 N LIG 1 5.834 0.809 -1.003 0.00 0.00 -0.298 NA ATOM 40 C LIG 1 7.185 1.298 -1.319 0.00 0.00 +0.085 C ATOM 41 C LIG 1 8.251 0.206 -1.322 0.00 0.00 +0.016 C ATOM 42 C LIG 1 8.336 -0.498 0.033 0.00 0.00 +0.006 C ENDBRANCH 35 39 ENDBRANCH 1 35 TORSDOF 8