REMARK Name = BDB065030 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.078 -1.731 0.033 0.00 0.00 -0.016 A ATOM 2 C LIG 1 2.231 -1.645 1.074 0.00 0.00 +0.102 A ATOM 3 N LIG 1 0.922 -1.319 0.850 0.00 0.00 -0.250 N ATOM 4 C LIG 1 0.378 -1.068 -0.369 0.00 0.00 +0.174 A ATOM 5 N LIG 1 -0.884 -0.777 -0.346 0.00 0.00 -0.143 NA ATOM 6 N LIG 1 -1.226 -0.834 0.998 0.00 0.00 -0.180 N ATOM 7 C LIG 1 1.272 -1.157 -1.540 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -0.094 -1.176 1.776 0.00 0.00 +0.356 A ATOM 9 O LIG 1 0.010 -1.323 2.985 0.00 0.00 -0.244 OA ATOM 10 C LIG 1 2.561 -1.481 -1.312 0.00 0.00 +0.022 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.550 -0.567 1.406 0.00 0.00 +0.071 A ATOM 12 C LIG 1 -3.530 -0.243 0.450 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -4.874 0.029 0.795 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -5.202 -0.006 2.157 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.243 -0.326 3.120 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.928 -0.609 2.748 0.00 0.00 +0.028 A BRANCH 13 17 ATOM 17 C LIG 1 -5.895 0.393 -0.308 0.00 0.00 +0.003 C ATOM 18 C LIG 1 -7.372 0.454 0.185 0.00 0.00 +0.107 C ATOM 19 C LIG 1 -7.739 1.794 0.779 0.00 0.00 +0.214 C ATOM 20 O LIG 1 -8.363 1.926 1.824 0.00 0.00 -0.276 OA ATOM 21 N LIG 1 -7.367 2.868 0.016 0.00 0.00 -0.315 N ATOM 22 H LIG 1 -7.616 3.785 0.365 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 -6.617 2.693 -1.200 0.00 0.00 +0.105 C ATOM 24 C LIG 1 -5.450 1.750 -0.946 0.00 0.00 +0.030 C ATOM 25 C LIG 1 -5.875 -0.710 -1.400 0.00 0.00 +0.016 C ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 7 26 ATOM 26 C LIG 1 0.655 -0.873 -2.856 0.00 0.00 +0.421 C ATOM 27 F LIG 1 -0.351 -1.735 -3.154 0.00 0.00 -0.166 F ATOM 28 F LIG 1 0.148 0.383 -2.934 0.00 0.00 -0.166 F ATOM 29 F LIG 1 1.555 -0.981 -3.872 0.00 0.00 -0.166 F ENDBRANCH 7 26 BRANCH 1 30 ATOM 30 C LIG 1 4.539 -2.091 0.188 0.00 0.00 +0.121 C BRANCH 30 34 ATOM 31 C LIG 1 6.378 2.489 0.675 0.00 0.00 +0.009 C ATOM 32 C LIG 1 6.369 1.225 -0.183 0.00 0.00 +0.000 C ATOM 33 C LIG 1 5.457 0.152 0.437 0.00 0.00 +0.088 C ATOM 34 N LIG 1 5.450 -1.079 -0.375 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.810 -1.632 -0.487 0.00 0.00 +0.085 C ATOM 36 C LIG 1 7.765 -0.630 -1.133 0.00 0.00 +0.016 C ATOM 37 C LIG 1 7.791 0.686 -0.366 0.00 0.00 +0.006 C ENDBRANCH 30 34 ENDBRANCH 1 30 TORSDOF 5