REMARK  Name = BDB049235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.117   1.248  -0.622  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.771   0.384   0.480  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        0.376  -0.526   0.975  0.00  0.00    +0.095 C 
ATOM      4  N   LIG    1        1.595  -0.123   0.251  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        1.357   1.265  -0.170  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.989  -0.388   0.046  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.293  -0.335   0.642  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -4.121  -1.207  -0.072  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -5.475  -1.389   0.255  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -5.994  -0.667   1.333  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.193   0.207   2.059  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -3.348  -1.772  -1.062  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -3.816  -2.735  -2.033  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -3.846   0.381   1.725  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -2.070  -1.291  -0.998  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   4  16
ATOM     16  C   LIG    1        2.824  -0.304   1.036  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1        4.084  -0.018   0.244  0.00  0.00    -0.027 A 
ATOM     18  C   LIG    1        4.647  -1.200  -0.257  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1        5.790  -1.180  -1.038  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        6.391   0.053  -1.299  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.845   1.238  -0.783  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.836  -2.386   0.160  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        4.684   1.208  -0.005  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.093  -1.797   1.367  0.00  0.00    +0.028 C 
ENDBRANCH   4  16
BRANCH   1  26
ATOM     25  C   LIG    1       -0.865   3.453   0.238  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1       -0.661   2.593  -0.924  0.00  0.00    -0.304 NA
ATOM     27  C   LIG    1       -1.898   2.510  -1.703  0.00  0.00    +0.104 C 
ENDBRANCH   1  26
TORSDOF 3