REMARK  Name = BDB003681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.223   1.801  -2.335  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        4.295   1.608  -1.558  0.00  0.00    +0.256 A 
ATOM      3  N   LIG    1        4.299   2.062  -0.272  0.00  0.00    -0.275 N 
ATOM      4  H   LIG    1        5.106   2.578   0.043  0.00  0.00    +0.173 HD
ATOM      5  C   LIG    1        3.289   1.870   0.625  0.00  0.00    +0.328 A 
ATOM      6  O   LIG    1        3.346   2.301   1.771  0.00  0.00    -0.247 OA
ATOM      7  N   LIG    1        2.218   1.170   0.162  0.00  0.00    -0.291 N 
ATOM      8  H   LIG    1        1.447   1.007   0.798  0.00  0.00    +0.172 HD
ATOM      9  C   LIG    1        2.108   0.669  -1.107  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1        3.101   0.860  -1.981  0.00  0.00    +0.118 A 
ENDROOT
BRANCH   9  11
ATOM     11  N   LIG    1        0.979  -0.025  -1.470  0.00  0.00    -0.136 NA
ATOM     12  N   LIG    1        0.102  -0.155  -0.589  0.00  0.00    -0.181 NA
BRANCH  12  13
ATOM     13  C   LIG    1       -1.063  -0.910  -1.072  0.00  0.00    +0.201 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.103  -1.051   0.011  0.00  0.00    -0.024 A 
ATOM     15  C   LIG    1       -2.062  -2.136   0.899  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -3.011  -2.253   1.916  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.002  -1.284   2.061  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.043  -0.195   1.193  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.096  -0.075   0.175  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  11
TORSDOF 3