REMARK  Name = BDB062812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.655  -1.033   0.802  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1        0.667  -1.161   0.842  0.00  0.00    -0.181 NA
ATOM      3  C   LIG    1        1.412  -0.157   0.389  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.884   0.964  -0.082  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.442   1.018  -0.091  0.00  0.00    +0.169 A 
ATOM      6  N   LIG    1       -1.249   0.045   0.320  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.299  -3.120   2.491  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1       -2.863  -1.933   1.590  0.00  0.00    +0.055 C 
ATOM      9  N   LIG    1       -1.411  -2.117   1.263  0.00  0.00    -0.290 N 
ATOM     10  C   LIG    1       -1.166  -3.277   0.369  0.00  0.00    +0.136 C 
ATOM     11  C   LIG    1       -2.080  -3.215  -0.869  0.00  0.00    +0.179 C 
ATOM     12  O   LIG    1       -3.466  -3.122  -0.503  0.00  0.00    -0.376 OA
ATOM     13  C   LIG    1       -3.711  -1.944   0.289  0.00  0.00    +0.185 C 
ATOM     14  C   LIG    1       -3.138  -0.662   2.419  0.00  0.00    +0.034 C 
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  N   LIG    1        2.794  -0.270   0.423  0.00  0.00    -0.290 N 
ATOM     16  C   LIG    1        3.567   0.026  -0.824  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        2.841  -0.442  -2.104  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1        3.866   1.530  -0.906  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1        4.938  -0.724  -0.754  0.00  0.00    +0.185 C 
ATOM     20  O   LIG    1        4.805  -2.144  -0.593  0.00  0.00    -0.376 OA
ATOM     21  C   LIG    1        3.817  -2.518   0.382  0.00  0.00    +0.179 C 
ATOM     22  C   LIG    1        3.337  -1.356   1.258  0.00  0.00    +0.136 C 
ENDBRANCH   3  15
BRANCH   5  23
ATOM     23  C   LIG    1       -1.074   2.239  -0.598  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -0.602   3.545  -0.367  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1       -1.290   4.631  -0.942  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1       -2.434   4.409  -1.688  0.00  0.00    +0.117 A 
ATOM     27  N   LIG    1       -2.918   3.182  -1.909  0.00  0.00    -0.240 NA
ATOM     28  C   LIG    1       -2.237   2.141  -1.367  0.00  0.00    +0.125 A 
BRANCH  24  29
ATOM     29  C   LIG    1        0.623   3.853   0.456  0.00  0.00    +0.372 C 
ATOM     30  F   LIG    1        1.724   4.057  -0.319  0.00  0.00    -0.204 F 
ATOM     31  F   LIG    1        0.472   5.009   1.172  0.00  0.00    -0.204 F 
ENDBRANCH  24  29
BRANCH  26  32
ATOM     32  N   LIG    1       -3.115   5.466  -2.279  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1       -3.359   6.183  -1.607  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1       -3.937   5.077  -2.735  0.00  0.00    +0.144 HD
ENDBRANCH  26  32
ENDBRANCH   5  23
TORSDOF 5