REMARK Name = BDB035872 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.651 0.568 -1.343 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -2.599 0.240 -0.576 0.00 0.00 +0.101 A ATOM 3 N LIG 1 -1.354 0.848 -0.707 0.00 0.00 -0.267 N ATOM 4 C LIG 1 -1.136 1.841 -1.660 0.00 0.00 +0.152 A ATOM 5 N LIG 1 0.004 2.437 -1.817 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 1.039 2.062 -1.011 0.00 0.00 +0.127 A ATOM 7 C LIG 1 0.988 1.123 -0.058 0.00 0.00 +0.065 A ATOM 8 C LIG 1 -2.292 2.213 -2.526 0.00 0.00 +0.098 A ATOM 9 C LIG 1 -0.324 0.445 0.144 0.00 0.00 +0.266 A ATOM 10 O LIG 1 -0.447 -0.411 1.023 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -3.470 1.590 -2.352 0.00 0.00 +0.022 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.174 0.808 0.758 0.00 0.00 -0.011 A ATOM 13 C LIG 1 3.381 0.416 0.154 0.00 0.00 +0.013 A ATOM 14 C LIG 1 4.544 0.093 0.893 0.00 0.00 -0.033 A ATOM 15 C LIG 1 4.430 0.194 2.293 0.00 0.00 +0.004 A ATOM 16 C LIG 1 3.241 0.584 2.915 0.00 0.00 +0.001 A ATOM 17 C LIG 1 2.118 0.886 2.151 0.00 0.00 +0.009 A BRANCH 14 18 ATOM 18 C LIG 1 5.887 -0.384 0.135 0.00 0.00 +0.056 C ATOM 19 C LIG 1 6.557 0.689 -0.801 0.00 0.00 +0.022 C ATOM 20 C LIG 1 7.637 0.930 0.275 0.00 0.00 -0.012 C ATOM 21 C LIG 1 7.460 2.163 1.146 0.00 0.00 +0.007 C ATOM 22 C LIG 1 7.253 -0.428 0.899 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 5.601 -1.753 -0.616 0.00 0.00 +0.144 A ATOM 24 N LIG 1 5.228 -2.946 -0.058 0.00 0.00 -0.320 N ATOM 25 C LIG 1 5.011 -3.244 1.330 0.00 0.00 +0.151 C ATOM 26 C LIG 1 5.077 -3.815 -1.093 0.00 0.00 +0.224 A ATOM 27 N LIG 1 5.340 -3.202 -2.223 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 5.664 -1.900 -1.924 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 -2.042 3.272 -3.540 0.00 0.00 +0.421 C ATOM 30 F LIG 1 -1.088 2.930 -4.442 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -3.165 3.531 -4.273 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.686 4.460 -2.988 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 -5.027 -0.065 -1.231 0.00 0.00 +0.121 C BRANCH 33 37 ATOM 34 C LIG 1 -8.966 -1.984 0.298 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -7.824 -0.987 0.483 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -6.487 -1.575 0.012 0.00 0.00 +0.088 C ATOM 37 N LIG 1 -5.359 -0.629 0.087 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 -5.556 0.431 1.094 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -6.320 -0.069 2.318 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -7.727 -0.536 1.948 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6