REMARK Name = BDB041344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.931 -0.107 0.184 0.00 0.00 +0.009 A ATOM 2 C LIG 1 -0.287 0.697 -0.853 0.00 0.00 +0.001 A ATOM 3 C LIG 1 1.159 0.890 -0.780 0.00 0.00 +0.039 A ATOM 4 C LIG 1 1.798 1.581 -1.736 0.00 0.00 +0.097 A ATOM 5 N LIG 1 1.094 2.137 -2.775 0.00 0.00 -0.328 N ATOM 6 H LIG 1 1.572 2.663 -3.497 0.00 0.00 +0.168 HD ATOM 7 C LIG 1 -0.267 2.034 -2.918 0.00 0.00 +0.249 A ATOM 8 O LIG 1 -0.874 2.547 -3.849 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 1.869 0.256 0.400 0.00 0.00 +0.128 A ATOM 10 N LIG 1 1.215 -0.468 1.277 0.00 0.00 -0.239 NA ATOM 11 C LIG 1 -0.972 1.250 -1.873 0.00 0.00 +0.079 A ATOM 12 C LIG 1 -0.145 -0.630 1.147 0.00 0.00 +0.122 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 -2.837 1.664 1.652 0.00 0.00 +0.044 C ATOM 14 C LIG 1 -3.287 0.422 0.930 0.00 0.00 -0.042 A ATOM 15 C LIG 1 -2.377 -0.410 0.249 0.00 0.00 -0.013 A ATOM 16 C LIG 1 -2.845 -1.556 -0.410 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -4.203 -1.879 -0.398 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -5.122 -1.061 0.269 0.00 0.00 -0.033 A ATOM 19 C LIG 1 -4.650 0.082 0.933 0.00 0.00 +0.009 A BRANCH 18 20 ATOM 20 C LIG 1 -6.598 -1.407 0.280 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 N LIG 1 -7.421 -0.856 -0.806 0.00 0.00 -0.304 NA ATOM 22 C LIG 1 -7.048 -1.353 -2.125 0.00 0.00 +0.104 C ATOM 23 C LIG 1 -7.495 0.601 -0.794 0.00 0.00 +0.104 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 1 15 BRANCH 9 24 ATOM 24 N LIG 1 3.232 0.424 0.580 0.00 0.00 -0.324 N ATOM 25 H LIG 1 3.623 1.278 0.204 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 3.887 0.012 1.809 0.00 0.00 +0.141 C BRANCH 26 27 ATOM 27 C LIG 1 5.376 0.088 1.627 0.00 0.00 +0.012 A ATOM 28 C LIG 1 6.069 -0.803 0.811 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.563 -1.906 -0.041 0.00 0.00 +0.080 C ATOM 30 C LIG 1 6.890 -2.590 -0.369 0.00 0.00 +0.234 C ATOM 31 O LIG 1 7.966 -1.635 -0.214 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 7.443 -0.695 0.635 0.00 0.00 +0.124 A ATOM 33 C LIG 1 8.188 0.291 1.249 0.00 0.00 +0.049 A ATOM 34 C LIG 1 7.518 1.190 2.078 0.00 0.00 +0.042 A ATOM 35 C LIG 1 6.131 1.083 2.259 0.00 0.00 +0.129 A ATOM 36 F LIG 1 5.522 1.979 3.049 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 6