REMARK  Name = BDB031358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.154  -1.327  -0.852  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1       -4.958  -1.210  -0.655  0.00  0.00    +0.325 A 
ATOM      3  N   LIG    1       -4.327  -1.026   0.584  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1       -4.818  -0.969   1.461  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1       -2.955  -0.937   0.377  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -2.718  -1.064  -0.988  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -1.452  -1.013  -1.517  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -0.396  -0.829  -0.613  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -0.630  -0.709   0.777  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1       -1.937  -0.755   1.282  0.00  0.00    +0.073 A 
ATOM     11  N   LIG    1       -3.944  -1.232  -1.623  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -4.112  -1.347  -2.608  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  O   LIG    1        0.332  -0.514   1.732  0.00  0.00    -0.487 OA
BRANCH  13  14
ATOM     14  C   LIG    1        1.697  -0.764   1.384  0.00  0.00    +0.264 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.395   0.433   0.778  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1        2.029   1.743   1.119  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        2.704   2.835   0.569  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        3.759   2.630  -0.317  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.145   1.333  -0.651  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.471   0.240  -0.102  0.00  0.00    +0.007 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 3