REMARK  Name = BDB036944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.506   0.881  -0.128  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        3.326   0.543  -0.091  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        2.390   1.160  -0.882  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1        2.725   1.921  -1.455  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1        1.064   0.827  -1.042  0.00  0.00    +0.240 C 
ATOM      6  O   LIG    1        0.378   1.401  -1.887  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1        0.563  -0.361  -0.202  0.00  0.00    +0.163 C 
ATOM      8  C   LIG    1        1.373  -0.485   1.088  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1        2.848  -0.620   0.747  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -0.881  -0.300   0.018  0.00  0.00    -0.290 N 
ATOM     11  C   LIG    1       -1.487   0.671   0.812  0.00  0.00    +0.216 C 
ATOM     12  O   LIG    1       -0.928   1.440   1.576  0.00  0.00    -0.276 OA
ATOM     13  C   LIG    1       -2.967   0.663   0.516  0.00  0.00    +0.097 C 
ATOM     14  C   LIG    1       -3.155  -0.619  -0.283  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1       -1.813  -0.813  -0.957  0.00  0.00    +0.109 C 
ENDBRANCH   7  10
TORSDOF 1