REMARK  Name = BDB003645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.401   1.918   1.919  0.00  0.00    +0.012 C 
ATOM      2  C   LIG    1        1.458   1.718   0.404  0.00  0.00    +0.020 C 
ATOM      3  C   LIG    1        2.183   0.458   0.029  0.00  0.00    -0.022 A 
ATOM      4  C   LIG    1        1.485  -0.614  -0.493  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        2.129  -1.793  -0.840  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        3.490  -1.970  -0.700  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.216  -0.897  -0.179  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.100  -2.708  -1.314  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        1.265  -3.834  -1.722  0.00  0.00    -0.282 OA
ATOM     10  C   LIG    1       -0.241  -1.940  -1.173  0.00  0.00    +0.292 C 
ATOM     11  O   LIG    1       -1.319  -2.440  -1.412  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        0.096  -0.668  -0.725  0.00  0.00    -0.258 N 
ATOM     13  C   LIG    1       -0.777   0.447  -0.279  0.00  0.00    +0.043 C 
ATOM     14  C   LIG    1       -1.317   0.170   1.147  0.00  0.00    +0.026 C 
ATOM     15  C   LIG    1       -2.545  -0.733   1.208  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -3.670  -0.191   0.343  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -3.237  -0.069  -1.107  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -1.946   0.729  -1.277  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1        3.571   0.304   0.184  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        0.077   1.770  -0.281  0.00  0.00    +0.034 C 
ENDROOT
TORSDOF 0