REMARK Name = BDB064940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.472 -0.242 1.278 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -0.538 -0.467 0.329 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.906 -0.572 0.672 0.00 0.00 -0.033 A ATOM 4 C LIG 1 -2.209 -0.440 2.042 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.220 -0.217 3.003 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.116 -0.119 2.624 0.00 0.00 +0.009 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 6.741 -0.382 -1.020 0.00 0.00 +0.150 C ATOM 8 N LIG 1 5.787 0.431 -0.302 0.00 0.00 -0.336 N ATOM 9 C LIG 1 4.504 0.085 0.007 0.00 0.00 +0.122 A ATOM 10 C LIG 1 3.926 1.128 0.684 0.00 0.00 +0.029 A ATOM 11 C LIG 1 2.576 0.996 1.104 0.00 0.00 +0.026 A ATOM 12 C LIG 1 1.879 -0.136 0.853 0.00 0.00 +0.047 A ATOM 13 C LIG 1 2.556 -1.273 0.103 0.00 0.00 +0.258 A ATOM 14 O LIG 1 1.974 -2.327 -0.146 0.00 0.00 -0.267 OA ATOM 15 C LIG 1 4.878 2.170 0.813 0.00 0.00 +0.081 A ATOM 16 N LIG 1 3.867 -1.091 -0.292 0.00 0.00 -0.308 N ATOM 17 H LIG 1 4.309 -1.849 -0.793 0.00 0.00 +0.170 HD ATOM 18 C LIG 1 6.028 1.695 0.184 0.00 0.00 +0.100 A BRANCH 15 19 ATOM 19 C LIG 1 4.682 3.488 1.478 0.00 0.00 +0.419 C ATOM 20 F LIG 1 4.319 3.347 2.780 0.00 0.00 -0.166 F ATOM 21 F LIG 1 3.708 4.219 0.878 0.00 0.00 -0.166 F ATOM 22 F LIG 1 5.808 4.249 1.466 0.00 0.00 -0.166 F ENDBRANCH 15 19 ENDBRANCH 1 12 BRANCH 3 23 ATOM 23 C LIG 1 -3.017 -0.825 -0.471 0.00 0.00 +0.056 C ATOM 24 C LIG 1 -2.901 -2.197 -1.238 0.00 0.00 +0.022 C ATOM 25 C LIG 1 -3.947 -2.769 -0.253 0.00 0.00 -0.012 C ATOM 26 C LIG 1 -4.937 -3.766 -0.818 0.00 0.00 +0.007 C ATOM 27 C LIG 1 -4.454 -1.318 -0.073 0.00 0.00 +0.022 C BRANCH 23 28 ATOM 28 C LIG 1 -3.077 0.422 -1.444 0.00 0.00 +0.144 A ATOM 29 N LIG 1 -3.428 1.706 -1.128 0.00 0.00 -0.320 N ATOM 30 C LIG 1 -3.823 2.225 0.152 0.00 0.00 +0.151 C ATOM 31 C LIG 1 -3.317 2.422 -2.279 0.00 0.00 +0.224 A ATOM 32 N LIG 1 -2.921 1.633 -3.250 0.00 0.00 -0.138 NA ATOM 33 N LIG 1 -2.764 0.373 -2.723 0.00 0.00 -0.134 NA ENDBRANCH 23 28 ENDBRANCH 3 23 TORSDOF 4