REMARK  Name = BDB057127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.332  -0.361  -0.168  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1        1.702   0.603  -0.960  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        0.314   0.776  -0.909  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -0.472  -0.011  -0.055  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.163  -0.969   0.749  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        1.552  -1.138   0.694  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.892   0.163  -0.001  0.00  0.00    -0.323 N 
ATOM      8  C   LIG    1       -2.644   1.066  -0.734  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -3.975   0.932  -0.404  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -4.064  -0.086   0.563  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -2.783  -0.540   0.793  0.00  0.00    +0.091 A 
ENDBRANCH   4   7
BRANCH   1  12
ATOM     12  C   LIG    1        3.828  -0.522  -0.201  0.00  0.00    +0.191 C 
BRANCH  12  13
ATOM     13  O   LIG    1        4.445   0.331   0.753  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1        3.743   0.826   1.210  0.00  0.00    +0.210 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 3