REMARK  Name = BDB031351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.439  -0.842   0.052  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.476   0.048   0.551  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.764  -1.207  -0.514  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.965  -2.169  -1.246  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.910  -0.294  -0.220  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.924  -0.188  -1.188  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        3.971   0.652  -0.898  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1        4.048   1.366   0.296  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        5.220   2.112   0.276  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        5.567   2.729   0.991  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        5.888   1.870  -0.934  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1        6.947   2.355  -1.289  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1        3.082   1.273   1.270  0.00  0.00    +0.028 A 
ATOM     14  N   LIG    1        5.098   0.961  -1.653  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        5.340   0.604  -2.563  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        2.000   0.423   1.004  0.00  0.00    +0.015 A 
ENDBRANCH   3   5
BRANCH   1  18
ATOM     17  C   LIG    1       -2.819  -0.934   0.604  0.00  0.00    +0.058 A 
ATOM     18  C   LIG    1       -1.675  -1.537   0.027  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -1.802  -2.814  -0.532  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.025  -3.490  -0.510  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.140  -2.906   0.081  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.039  -1.634   0.641  0.00  0.00    +0.015 A 
BRANCH  17  26
ATOM     23  C   LIG    1       -3.889   2.566   1.609  0.00  0.00    +0.128 C 
ATOM     24  N   LIG    1       -3.900   1.189   1.181  0.00  0.00    -0.314 N 
ATOM     25  H   LIG    1       -4.661   0.895   0.583  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1       -2.739   0.441   1.190  0.00  0.00    +0.246 C 
ATOM     27  O   LIG    1       -1.668   0.875   1.606  0.00  0.00    -0.270 OA
ENDBRANCH  17  26
ENDBRANCH   1  18
TORSDOF 3