REMARK  Name = BDB031256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.274  -2.365  -0.831  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -3.674  -1.073  -0.670  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -2.305  -0.830  -0.509  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -2.124   0.547  -0.387  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -0.873   1.106  -0.215  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.237   0.244  -0.167  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        0.034  -1.152  -0.286  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -3.383   1.156  -0.471  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -3.630   2.566  -0.392  0.00  0.00    +0.154 C 
ATOM     10  C   LIG    1       -1.243  -1.704  -0.463  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -4.366   0.158  -0.649  0.00  0.00    +0.330 A 
ATOM     12  O   LIG    1       -5.570   0.325  -0.761  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.510   0.809   0.053  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        1.603   1.758  -0.320  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.711   0.276   0.566  0.00  0.00    +0.062 A 
ATOM     16  C   LIG    1        3.983   0.706   0.127  0.00  0.00    +0.147 A 
ATOM     17  C   LIG    1        5.169   0.126   0.613  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        5.103  -0.897   1.554  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.863  -1.336   2.008  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.686  -0.758   1.517  0.00  0.00    +0.025 A 
BRANCH  16  21
ATOM     21  N   LIG    1        4.111   1.780  -0.862  0.00  0.00    +0.058 N 
ATOM     22  O   LIG    1        5.114   1.774  -1.590  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        3.216   2.640  -0.903  0.00  0.00    -0.126 OA
ENDBRANCH  16  21
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 3