REMARK Name = BDB010931 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.883 1.389 -0.156 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.747 0.823 -0.753 0.00 0.00 +0.019 A ATOM 3 C LIG 1 1.540 0.724 -0.047 0.00 0.00 +0.051 A ATOM 4 C LIG 1 1.470 1.188 1.259 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.181 1.045 1.927 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -0.869 0.515 1.391 0.00 0.00 -0.171 NA ATOM 7 N LIG 1 -0.814 0.036 0.096 0.00 0.00 -0.196 N ATOM 8 C LIG 1 2.590 1.761 1.888 0.00 0.00 +0.064 A ATOM 9 C LIG 1 0.346 0.129 -0.693 0.00 0.00 +0.280 A ATOM 10 O LIG 1 0.477 -0.221 -1.864 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 3.793 1.855 1.163 0.00 0.00 +0.018 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.058 -0.548 -0.351 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -3.183 -0.559 0.504 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -4.432 -1.103 0.131 0.00 0.00 -0.035 A ATOM 15 C LIG 1 -4.539 -1.676 -1.140 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -3.446 -1.688 -2.002 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -2.224 -1.128 -1.613 0.00 0.00 +0.028 A BRANCH 14 18 ATOM 18 C LIG 1 -5.598 -1.037 1.115 0.00 0.00 +0.090 C BRANCH 18 19 ATOM 19 C LIG 1 -6.403 -2.313 1.201 0.00 0.00 +0.141 A ATOM 20 N LIG 1 -7.546 -2.660 0.521 0.00 0.00 -0.320 N ATOM 21 C LIG 1 -8.292 -1.922 -0.460 0.00 0.00 +0.151 C ATOM 22 C LIG 1 -7.894 -3.902 0.967 0.00 0.00 +0.224 A ATOM 23 N LIG 1 -7.035 -4.305 1.868 0.00 0.00 -0.138 NA ATOM 24 N LIG 1 -6.103 -3.311 2.017 0.00 0.00 -0.134 NA ENDBRANCH 18 19 BRANCH 18 25 ATOM 25 C LIG 1 -6.421 0.256 0.980 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -6.641 1.017 -0.370 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -6.628 2.323 0.451 0.00 0.00 +0.001 C ATOM 28 C LIG 1 -5.760 1.579 1.483 0.00 0.00 +0.004 C ENDBRANCH 18 25 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 2.529 2.267 3.304 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.196 1.290 4.190 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.705 2.788 3.750 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.605 3.253 3.461 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 5.185 1.482 -0.928 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 7.999 -0.928 1.671 0.00 0.00 +0.009 C ATOM 35 C LIG 1 7.530 -0.042 0.517 0.00 0.00 +0.000 C ATOM 36 C LIG 1 6.228 -0.592 -0.094 0.00 0.00 +0.088 C ATOM 37 N LIG 1 5.743 0.165 -1.260 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 6.793 0.258 -2.285 0.00 0.00 +0.085 C ATOM 39 C LIG 1 8.111 0.840 -1.771 0.00 0.00 +0.016 C ATOM 40 C LIG 1 8.619 0.070 -0.556 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 7