REMARK  Name = BDB048337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.657   1.868  -0.595  0.00  0.00    -0.266 N 
ATOM      2  C   LIG    1       -1.719   1.049  -0.389  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -3.163   1.365  -0.488  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -3.953   0.276   0.266  0.00  0.00    +0.114 C 
ATOM      5  N   LIG    1       -3.472  -1.091  -0.027  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.043  -1.378   0.221  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -4.422  -2.100  -0.130  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -5.634  -1.883  -0.107  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -3.914  -3.512  -0.289  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -1.202  -0.189  -0.075  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        0.210  -0.018  -0.095  0.00  0.00    +0.150 A 
ATOM     12  N   LIG    1        0.519   1.245  -0.411  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -0.605   4.188   0.230  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1       -0.666   3.267  -0.976  0.00  0.00    +0.140 C 
ENDBRANCH   1  14
BRANCH  11  15
ATOM     15  N   LIG    1        1.061  -1.038   0.183  0.00  0.00    -0.298 N 
ATOM     16  H   LIG    1        0.655  -1.938   0.398  0.00  0.00    +0.154 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.474  -1.101   0.225  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        3.313  -0.012  -0.036  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        4.713  -0.130   0.013  0.00  0.00    -0.049 A 
ATOM     20  C   LIG    1        5.578   1.069  -0.242  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        5.284  -1.358   0.356  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        4.470  -2.455   0.621  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        3.080  -2.326   0.553  0.00  0.00    +0.023 A 
ENDBRANCH  15  17
ENDBRANCH  11  15
TORSDOF 3