REMARK  Name = BDB048324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.795   3.483  -1.046  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.314   3.550  -0.780  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.701   2.409  -0.275  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.270   2.547   0.054  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.639   1.216   0.245  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.280   0.843   0.419  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.176  -0.481   0.587  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.429  -0.958   0.453  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.346   0.033   0.288  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.812  -0.082   0.122  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.447   1.304   0.369  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.688   4.584  -1.018  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.725   1.753   0.441  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.480   2.734   0.389  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.127   1.572   0.425  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.738   0.346   0.132  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        4.129   0.176   0.203  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.927   1.270   0.549  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.342   2.501   0.842  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.954   2.646   0.788  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.741  -1.119  -0.093  0.00  0.00    +0.069 A 
ATOM     22  N   LIG    1        4.354  -2.331   0.440  0.00  0.00    -0.267 N 
ATOM     23  C   LIG    1        3.324  -2.583   1.423  0.00  0.00    +0.173 C 
ATOM     24  N   LIG    1        5.078  -3.377  -0.016  0.00  0.00    -0.179 NA
ATOM     25  C   LIG    1        5.963  -2.816  -0.840  0.00  0.00    +0.135 A 
ATOM     26  C   LIG    1        5.809  -1.423  -0.918  0.00  0.00    +0.049 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -1.663  -2.394   0.554  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.625  -3.163  -0.738  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -0.441  -3.075  -1.671  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -1.778  -2.542  -2.108  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5