REMARK  Name = BDB032544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.261  -0.887   0.492  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.284  -1.847   0.494  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -1.369  -3.027   0.775  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.043  -1.185   0.100  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -0.340   0.145  -0.141  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        0.621   1.052  -0.541  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        1.921   0.568  -0.698  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1        2.863   1.477  -1.102  0.00  0.00    -0.484 OA
ATOM      9  C   LIG    1        4.066   0.858  -1.584  0.00  0.00    +0.279 C 
ATOM     10  C   LIG    1        4.525  -0.249  -0.643  0.00  0.00    +0.169 C 
ATOM     11  C   LIG    1        5.949  -0.778  -0.938  0.00  0.00    +0.133 C 
ATOM     12  N   LIG    1        6.493   0.077   0.134  0.00  0.00    -0.308 NA
ATOM     13  H   LIG    1        6.903   0.951  -0.197  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        5.138   0.231   0.698  0.00  0.00    +0.133 C 
ATOM     15  O   LIG    1        3.501  -1.273  -0.543  0.00  0.00    -0.476 OA
ATOM     16  C   LIG    1        2.223  -0.786  -0.429  0.00  0.00    +0.164 A 
ATOM     17  C   LIG    1        1.235  -1.688  -0.035  0.00  0.00    +0.063 A 
ATOM     18  C   LIG    1       -1.771   0.324   0.094  0.00  0.00    +0.255 C 
ATOM     19  O   LIG    1       -2.363   1.371  -0.075  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  26
ATOM     20  O   LIG    1       -6.982   1.196  -0.086  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -6.016   0.498   0.211  0.00  0.00    +0.219 C 
ATOM     22  N   LIG    1       -5.675  -0.583  -0.556  0.00  0.00    -0.255 N 
ATOM     23  H   LIG    1       -6.177  -0.614  -1.435  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -4.421  -1.134  -0.593  0.00  0.00    +0.240 C 
ATOM     25  O   LIG    1       -3.961  -1.570  -1.647  0.00  0.00    -0.273 OA
ATOM     26  C   LIG    1       -3.666  -1.185   0.738  0.00  0.00    +0.171 C 
ATOM     27  C   LIG    1       -4.317  -0.367   1.853  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.103   0.837   1.362  0.00  0.00    +0.098 C 
ENDBRANCH   1  26
TORSDOF 1