REMARK Name = BDB038378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.217 -1.184 -0.620 0.00 0.00 -0.260 N ATOM 2 C LIG 1 -0.402 -0.242 0.214 0.00 0.00 +0.252 C ATOM 3 O LIG 1 0.028 0.762 0.752 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.794 -0.670 0.396 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.803 -0.058 1.117 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.064 -0.672 1.141 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.264 -1.881 0.432 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.226 -2.490 -0.300 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.986 -1.855 -0.299 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.709 -2.254 -0.966 0.00 0.00 +0.150 C ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 2.153 -2.186 -1.855 0.00 0.00 +0.141 A ATOM 12 C LIG 1 1.576 -1.155 -1.077 0.00 0.00 +0.079 A ATOM 13 C LIG 1 2.400 -0.056 -0.766 0.00 0.00 +0.031 A ATOM 14 C LIG 1 3.752 0.019 -1.155 0.00 0.00 -0.042 A ATOM 15 C LIG 1 4.294 -1.034 -1.892 0.00 0.00 +0.007 A ATOM 16 C LIG 1 3.504 -2.128 -2.233 0.00 0.00 +0.048 A BRANCH 11 18 ATOM 17 C LIG 1 1.521 -3.679 -3.559 0.00 0.00 +0.277 C ATOM 18 O LIG 1 1.410 -3.294 -2.188 0.00 0.00 -0.493 OA ENDBRANCH 11 18 BRANCH 14 19 ATOM 19 C LIG 1 4.620 1.222 -0.805 0.00 0.00 +0.023 C ATOM 20 C LIG 1 4.272 2.397 -1.727 0.00 0.00 +0.013 C BRANCH 19 21 ATOM 21 C LIG 1 4.507 1.609 0.687 0.00 0.00 +0.084 C BRANCH 21 22 ATOM 22 C LIG 1 5.700 2.374 1.153 0.00 0.00 +0.134 A ATOM 23 N LIG 1 6.783 1.830 1.795 0.00 0.00 -0.320 N ATOM 24 C LIG 1 6.991 0.452 2.147 0.00 0.00 +0.151 C ATOM 25 C LIG 1 7.639 2.858 2.036 0.00 0.00 +0.224 A ATOM 26 N LIG 1 7.126 3.973 1.573 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 5.904 3.670 1.020 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 14 19 ENDBRANCH 1 12 BRANCH 8 28 ATOM 28 C LIG 1 -3.436 -3.776 -1.051 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -4.718 -4.231 -1.010 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -2.663 -4.788 -0.569 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -3.121 -3.664 -2.371 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -5.202 -0.033 1.912 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -5.624 1.241 1.331 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -6.592 1.937 2.181 0.00 0.00 +0.085 C ATOM 35 C LIG 1 -7.146 3.010 1.258 0.00 0.00 +0.017 C ATOM 36 C LIG 1 -6.977 2.449 -0.149 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -6.293 1.102 0.036 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8