REMARK  Name = BDB051444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.598  -0.491   2.144  0.00  0.00    -0.286 OA
ATOM      2  C   LIG    1        0.968  -0.217   1.008  0.00  0.00    +0.200 A 
ATOM      3  C   LIG    1        2.400  -0.026   0.712  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        2.788   0.275  -0.591  0.00  0.00    +0.142 A 
ATOM      5  C   LIG    1        4.136   0.459  -0.892  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        5.086   0.341   0.118  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        4.711   0.041   1.426  0.00  0.00    +0.046 A 
ATOM      8  O   LIG    1        1.891   0.401  -1.620  0.00  0.00    -0.462 OA
ATOM      9  C   LIG    1        0.559   0.225  -1.332  0.00  0.00    +0.208 A 
ATOM     10  C   LIG    1        3.359  -0.144   1.725  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        0.023  -0.058  -0.134  0.00  0.00    +0.064 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -1.435  -0.230   0.015  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1       -2.326   0.734  -0.488  0.00  0.00    +0.058 A 
ATOM     14  C   LIG    1       -3.680   0.520  -0.327  0.00  0.00    +0.167 A 
ATOM     15  O   LIG    1       -4.670   1.350  -0.755  0.00  0.00    -0.453 OA
ATOM     16  C   LIG    1       -5.838   0.632  -0.305  0.00  0.00    +0.466 C 
ATOM     17  O   LIG    1       -5.528  -0.609   0.361  0.00  0.00    -0.453 OA
ATOM     18  C   LIG    1       -4.170  -0.595   0.309  0.00  0.00    +0.166 A 
ATOM     19  C   LIG    1       -3.333  -1.560   0.822  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -1.954  -1.371   0.672  0.00  0.00    +0.012 A 
ENDBRANCH  11  12
BRANCH   6  21
ATOM     21  O   LIG    1        6.394   0.529  -0.217  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1        6.943   0.420   0.577  0.00  0.00    +0.292 HD
ENDBRANCH   6  21
TORSDOF 2