REMARK Name = BDB052873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.986 1.037 2.156 0.00 0.00 +0.173 C ATOM 2 N LIG 1 -2.801 0.153 1.356 0.00 0.00 -0.264 N ATOM 3 C LIG 1 -2.463 -0.463 0.188 0.00 0.00 +0.091 A ATOM 4 C LIG 1 -1.233 -0.427 -0.578 0.00 0.00 +0.097 A ATOM 5 C LIG 1 -1.258 -0.996 -1.842 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -2.530 -1.535 -2.450 0.00 0.00 +0.043 C ATOM 7 C LIG 1 -3.576 -2.034 -1.421 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -0.063 -0.934 -2.509 0.00 0.00 +0.120 A ATOM 9 N LIG 1 1.051 -0.393 -1.979 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 0.976 0.121 -0.740 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -0.151 0.127 -0.009 0.00 0.00 -0.212 NA ATOM 12 C LIG 1 -3.575 -1.189 -0.194 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -4.547 -0.959 0.809 0.00 0.00 +0.151 A ATOM 14 N LIG 1 -4.065 -0.123 1.757 0.00 0.00 -0.166 NA ENDROOT BRANCH 13 15 ATOM 15 C LIG 1 -5.905 -1.516 0.892 0.00 0.00 +0.262 C ATOM 16 O LIG 1 -6.384 -2.292 0.071 0.00 0.00 -0.269 OA ATOM 17 N LIG 1 -6.614 -1.097 1.983 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -7.542 -1.452 2.148 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 -6.155 -0.483 2.646 0.00 0.00 +0.145 HD ENDBRANCH 13 15 BRANCH 10 20 ATOM 20 N LIG 1 2.076 0.695 -0.117 0.00 0.00 -0.281 N ATOM 21 H LIG 1 1.827 1.010 0.810 0.00 0.00 +0.155 HD BRANCH 20 22 ATOM 22 C LIG 1 3.420 0.903 -0.471 0.00 0.00 +0.076 A ATOM 23 C LIG 1 4.274 1.536 0.468 0.00 0.00 +0.151 A ATOM 24 C LIG 1 5.619 1.765 0.155 0.00 0.00 +0.048 A ATOM 25 C LIG 1 6.128 1.373 -1.083 0.00 0.00 +0.004 A ATOM 26 C LIG 1 5.299 0.753 -2.011 0.00 0.00 +0.002 A ATOM 27 C LIG 1 3.956 0.522 -1.706 0.00 0.00 +0.027 A BRANCH 23 28 ATOM 28 O LIG 1 3.667 1.880 1.653 0.00 0.00 -0.404 OA BRANCH 28 29 ATOM 29 C LIG 1 4.454 2.521 2.640 0.00 0.00 +0.575 C ATOM 30 F LIG 1 4.939 3.698 2.192 0.00 0.00 -0.133 F ATOM 31 F LIG 1 3.671 2.772 3.713 0.00 0.00 -0.133 F ATOM 32 F LIG 1 5.473 1.732 3.042 0.00 0.00 -0.133 F ENDBRANCH 28 29 ENDBRANCH 23 28 ENDBRANCH 20 22 ENDBRANCH 10 20 TORSDOF 5