REMARK  Name = BDB029436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.935   1.224   0.908  0.00  0.00    +0.138 C 
ATOM      2  N   LIG    1        4.190   0.102   0.401  0.00  0.00    -0.274 N 
ATOM      3  C   LIG    1        2.814  -0.072   0.576  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        2.421  -1.265  -0.034  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.102  -1.682  -0.007  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        0.174  -0.856   0.637  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        0.575   0.338   1.273  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.614  -1.933  -0.648  0.00  0.00    +0.133 C 
ATOM      9  C   LIG    1        1.913   0.744   1.236  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        4.748  -0.958  -0.318  0.00  0.00    +0.224 C 
ATOM     11  O   LIG    1        5.919  -1.100  -0.634  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.236  -1.294   0.710  0.00  0.00    +0.247 C 
ATOM     13  N   LIG    1       -2.232  -0.461   0.203  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1       -2.013   0.636  -0.736  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -2.841   1.857  -0.346  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -4.268   1.509   0.093  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -4.636   0.063  -0.220  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -3.613  -0.905   0.373  0.00  0.00    +0.108 C 
ATOM     19  O   LIG    1       -1.465  -2.381   1.236  0.00  0.00    -0.270 OA
ENDBRANCH   6  12
TORSDOF 1