REMARK Name = BDB032349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.756 -0.301 -1.047 0.00 0.00 +0.122 A ATOM 2 N LIG 1 -1.169 0.387 -2.050 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 0.177 0.344 -2.185 0.00 0.00 +0.118 A ATOM 4 C LIG 1 1.028 -0.391 -1.373 0.00 0.00 -0.009 A ATOM 5 C LIG 1 0.437 -1.110 -0.330 0.00 0.00 -0.041 A ATOM 6 C LIG 1 1.246 -1.941 0.626 0.00 0.00 +0.044 C ATOM 7 C LIG 1 -0.962 -1.067 -0.191 0.00 0.00 +0.047 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 -3.736 -0.289 0.449 0.00 0.00 +0.168 C ATOM 9 N LIG 1 -3.161 -0.252 -0.938 0.00 0.00 -0.301 N ATOM 10 C LIG 1 -3.753 0.724 -1.882 0.00 0.00 +0.129 C ATOM 11 C LIG 1 -5.280 0.719 -1.827 0.00 0.00 +0.144 C ATOM 12 N LIG 1 -5.718 0.944 -0.471 0.00 0.00 -0.305 N ATOM 13 C LIG 1 -6.816 1.599 0.007 0.00 0.00 +0.238 A ATOM 14 N LIG 1 -6.763 1.569 1.328 0.00 0.00 -0.125 NA ATOM 15 N LIG 1 -5.625 0.890 1.704 0.00 0.00 -0.132 NA ATOM 16 C LIG 1 -5.004 0.510 0.610 0.00 0.00 +0.157 A BRANCH 13 17 ATOM 17 C LIG 1 -7.846 2.212 -0.862 0.00 0.00 +0.452 C ATOM 18 F LIG 1 -8.932 2.664 -0.189 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -8.300 1.324 -1.790 0.00 0.00 -0.163 F ATOM 20 F LIG 1 -7.344 3.263 -1.564 0.00 0.00 -0.163 F ENDBRANCH 13 17 BRANCH 8 21 ATOM 21 C LIG 1 -4.051 -1.763 0.852 0.00 0.00 +0.189 C BRANCH 21 23 ATOM 22 C LIG 1 -3.704 -3.403 2.522 0.00 0.00 +0.194 C ATOM 23 O LIG 1 -3.351 -2.106 2.060 0.00 0.00 -0.381 OA ENDBRANCH 21 23 ENDBRANCH 8 21 ENDBRANCH 1 9 BRANCH 4 24 ATOM 24 C LIG 1 2.512 -0.348 -1.628 0.00 0.00 +0.138 C BRANCH 24 25 ATOM 25 N LIG 1 3.079 0.829 -0.970 0.00 0.00 -0.339 N ATOM 26 H LIG 1 2.640 0.993 -0.072 0.00 0.00 +0.146 HD BRANCH 25 27 ATOM 27 C LIG 1 4.493 0.832 -0.897 0.00 0.00 +0.035 A ATOM 28 C LIG 1 5.192 0.879 0.350 0.00 0.00 +0.008 A ATOM 29 C LIG 1 6.610 0.852 0.347 0.00 0.00 +0.023 A ATOM 30 C LIG 1 7.282 0.874 1.589 0.00 0.00 +0.124 A ATOM 31 N LIG 1 6.662 0.944 2.779 0.00 0.00 -0.240 NA ATOM 32 C LIG 1 5.319 0.984 2.764 0.00 0.00 +0.113 A ATOM 33 C LIG 1 7.297 0.809 -0.886 0.00 0.00 +0.012 A ATOM 34 C LIG 1 6.613 0.777 -2.095 0.00 0.00 +0.003 A ATOM 35 C LIG 1 4.558 0.947 1.608 0.00 0.00 +0.030 A ATOM 36 C LIG 1 5.223 0.785 -2.096 0.00 0.00 +0.023 A BRANCH 30 37 ATOM 37 N LIG 1 8.679 0.824 1.677 0.00 0.00 -0.343 N ATOM 38 H LIG 1 8.895 0.818 2.671 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 9.034 -0.007 1.218 0.00 0.00 +0.144 HD ENDBRANCH 30 37 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 8