REMARK Name = BDB038330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.319 1.067 -1.662 0.00 0.00 +0.121 A ATOM 2 N LIG 1 0.820 0.683 -1.050 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.784 -0.337 -0.161 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.395 -1.007 0.134 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -1.568 -0.639 -0.524 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.519 0.406 -1.442 0.00 0.00 +0.053 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.007 -0.680 0.444 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.261 -1.724 1.320 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.529 -2.589 1.766 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.688 -1.645 1.661 0.00 0.00 +0.042 A ATOM 11 C LIG 1 4.422 -2.457 2.505 0.00 0.00 +0.013 A ATOM 12 C LIG 1 5.778 -2.167 2.657 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.361 -1.086 1.968 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.602 -0.267 1.110 0.00 0.00 +0.060 A ATOM 15 C LIG 1 4.250 -0.572 0.972 0.00 0.00 -0.006 A ATOM 16 C LIG 1 3.198 0.098 0.146 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 6.216 0.889 0.369 0.00 0.00 +0.418 C ATOM 18 F LIG 1 5.627 2.075 0.681 0.00 0.00 -0.166 F ATOM 19 F LIG 1 7.545 1.054 0.615 0.00 0.00 -0.166 F ATOM 20 F LIG 1 6.098 0.758 -0.981 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 -2.827 -1.334 -0.254 0.00 0.00 +0.079 A ATOM 22 N LIG 1 -3.020 -2.683 -0.477 0.00 0.00 -0.266 N ATOM 23 C LIG 1 -2.078 -3.631 -1.029 0.00 0.00 +0.173 C ATOM 24 N LIG 1 -4.253 -3.117 -0.145 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 -4.868 -2.017 0.287 0.00 0.00 +0.146 A ATOM 26 C LIG 1 -4.043 -0.878 0.238 0.00 0.00 +0.064 A BRANCH 26 27 ATOM 27 C LIG 1 -4.380 0.591 0.652 0.00 0.00 +0.167 A ATOM 28 N LIG 1 -5.553 1.088 1.160 0.00 0.00 -0.316 N ATOM 29 C LIG 1 -6.768 0.385 1.462 0.00 0.00 +0.152 C ATOM 30 C LIG 1 -5.359 2.424 1.343 0.00 0.00 +0.225 A ATOM 31 N LIG 1 -4.143 2.746 0.975 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 -3.527 1.595 0.550 0.00 0.00 -0.129 NA ENDBRANCH 26 27 ENDBRANCH 5 21 BRANCH 1 33 ATOM 33 N LIG 1 -0.313 2.127 -2.590 0.00 0.00 -0.329 N ATOM 34 H LIG 1 -1.079 2.753 -2.345 0.00 0.00 +0.147 HD BRANCH 33 36 ATOM 35 C LIG 1 0.833 3.949 -3.716 0.00 0.00 +0.024 C ATOM 36 C LIG 1 0.957 2.839 -2.683 0.00 0.00 +0.099 C ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 6