REMARK  Name = BDB042665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.032  -1.494  -1.610  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.703   0.088  -0.167  0.00  0.00    -0.024 C 
ATOM      3  C   LIG    1        2.958   0.814  -1.264  0.00  0.00    +0.052 C 
ATOM      4  C   LIG    1        1.467   0.432  -1.333  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1        1.310  -1.022  -1.260  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1        1.789  -1.537   0.028  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1        3.129  -0.982   0.420  0.00  0.00    -0.006 C 
BRANCH   2  11
ATOM      8  C   LIG    1        7.505   1.438   1.166  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        6.702   0.568   1.881  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1        5.491   0.136   1.455  0.00  0.00    -0.254 NA
ATOM     11  C   LIG    1        5.036   0.580   0.255  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        5.789   1.458  -0.524  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        7.035   1.890  -0.063  0.00  0.00    +0.022 A 
BRANCH   8  15
ATOM     14  N   LIG    1        9.801   2.188   2.095  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        8.772   1.851   1.679  0.00  0.00    +0.101 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.198  -0.953  -0.770  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.531  -1.540  -1.251  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.702  -1.005  -0.467  0.00  0.00    +0.021 A 
ATOM     19  N   LIG    1       -3.865  -1.468   0.820  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -3.208  -2.138   1.206  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -4.884  -1.093   1.671  0.00  0.00    +0.258 A 
ATOM     22  O   LIG    1       -4.977  -1.538   2.809  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -5.859  -0.124   1.135  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -5.698   0.339  -0.165  0.00  0.00    +0.078 A 
ATOM     25  N   LIG    1       -6.539   1.228  -0.747  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1       -7.575   1.663   0.008  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -7.812   1.254   1.313  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -6.934   0.340   1.890  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -4.581  -0.130  -0.980  0.00  0.00    +0.049 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6