REMARK Name = BDB020535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.841 3.425 -0.086 0.00 0.00 +0.041 C ATOM 2 C LIG 1 -2.861 2.724 0.847 0.00 0.00 +0.171 C ATOM 3 N LIG 1 -1.837 2.012 0.099 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -0.604 2.554 -0.152 0.00 0.00 +0.064 A ATOM 5 C LIG 1 0.067 1.588 -0.868 0.00 0.00 +0.094 A ATOM 6 N LIG 1 -0.729 0.485 -1.044 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -0.261 3.901 0.334 0.00 0.00 +0.163 C ATOM 8 N LIG 1 -0.936 4.141 1.601 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -0.385 5.191 2.441 0.00 0.00 +0.132 C ATOM 10 C LIG 1 -1.879 0.756 -0.453 0.00 0.00 +0.114 A ATOM 11 C LIG 1 -2.253 3.743 1.814 0.00 0.00 +0.238 C ATOM 12 O LIG 1 -2.937 4.197 2.735 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 1.426 1.677 -1.367 0.00 0.00 +0.011 A ATOM 14 C LIG 1 2.427 0.747 -0.966 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.731 0.878 -1.480 0.00 0.00 +0.072 A ATOM 16 N LIG 1 4.734 0.051 -1.144 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 4.501 -0.956 -0.265 0.00 0.00 +0.083 A ATOM 18 C LIG 1 3.250 -1.204 0.284 0.00 0.00 +0.044 A ATOM 19 C LIG 1 4.006 1.907 -2.369 0.00 0.00 +0.028 A ATOM 20 C LIG 1 3.028 2.815 -2.774 0.00 0.00 +0.003 A ATOM 21 C LIG 1 2.217 -0.324 -0.069 0.00 0.00 +0.022 A ATOM 22 C LIG 1 1.738 2.699 -2.274 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.676 -1.759 0.009 0.00 0.00 +0.038 A ATOM 24 C LIG 1 6.157 -2.107 1.254 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.304 -2.814 1.036 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.175 -3.388 2.033 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.611 -2.948 -0.267 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.642 -2.268 -0.887 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 2.977 -2.353 1.205 0.00 0.00 +0.374 C ATOM 30 F LIG 1 1.648 -2.651 1.311 0.00 0.00 -0.204 F ATOM 31 F LIG 1 3.387 -2.109 2.482 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 32 ATOM 32 C LIG 1 -3.055 -0.176 -0.396 0.00 0.00 +0.058 C ATOM 33 C LIG 1 -2.664 -1.501 0.263 0.00 0.00 +0.026 C ATOM 34 C LIG 1 -3.868 -2.447 0.353 0.00 0.00 +0.085 C ATOM 35 N LIG 1 -4.849 -2.270 -0.734 0.00 0.00 -0.300 NA ATOM 36 C LIG 1 -4.194 -1.838 -1.972 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -3.628 -0.424 -1.803 0.00 0.00 +0.026 C BRANCH 35 38 ATOM 38 C LIG 1 -5.650 -3.489 -0.958 0.00 0.00 +0.118 C BRANCH 38 39 ATOM 39 C LIG 1 -6.523 -3.896 0.230 0.00 0.00 +0.228 C ATOM 40 F LIG 1 -7.265 -4.982 -0.125 0.00 0.00 -0.248 F ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 10 32 TORSDOF 6