REMARK  Name = BDB031233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.634   1.602   1.102  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -3.721   0.661   0.522  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -2.325   0.759   0.556  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.799  -0.344  -0.115  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -0.438  -0.539  -0.256  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.415   0.420   0.304  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -0.129   1.538   0.984  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -2.873  -1.125  -0.564  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -2.753  -2.350  -1.300  0.00  0.00    +0.154 C 
ATOM     10  C   LIG    1       -1.512   1.718   1.116  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -4.083  -0.512  -0.175  0.00  0.00    +0.330 A 
ATOM     12  O   LIG    1       -5.215  -0.914  -0.396  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.820   0.348   0.236  0.00  0.00    -0.279 N 
ATOM     14  H   LIG    1        2.345   1.096   0.675  0.00  0.00    +0.155 HD
ATOM     15  C   LIG    1        2.604  -0.624  -0.361  0.00  0.00    +0.284 C 
ATOM     16  O   LIG    1        2.185  -1.616  -0.948  0.00  0.00    -0.266 OA
BRANCH  15  17
ATOM     17  C   LIG    1        4.025  -0.353  -0.224  0.00  0.00    +0.189 A 
ATOM     18  O   LIG    1        4.435   0.774   0.445  0.00  0.00    -0.458 OA
ATOM     19  C   LIG    1        5.793   0.779   0.423  0.00  0.00    +0.196 A 
ATOM     20  C   LIG    1        6.270  -0.323  -0.246  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        5.132  -1.054  -0.663  0.00  0.00    +0.054 A 
ENDBRANCH  15  17
ENDBRANCH   6  13
TORSDOF 2