REMARK  Name = BDB064397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.948   0.364  -0.457  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.176  -0.755  -0.225  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.232  -1.210   0.675  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.754   1.131  -1.397  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   9
ATOM      5  O   LIG    1       -4.784   2.096  -0.987  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -4.021   1.344  -0.409  0.00  0.00    +0.214 C 
ATOM      7  N   LIG    1       -2.880   1.729   0.265  0.00  0.00    -0.304 N 
ATOM      8  H   LIG    1       -2.507   2.649   0.057  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -2.053   0.598   0.595  0.00  0.00    +0.159 C 
ATOM     10  C   LIG    1       -3.058  -0.542   0.675  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -4.130  -0.157  -0.343  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  C   LIG    1        0.998  -1.042  -1.022  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.245  -0.602  -0.300  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        2.989  -1.510   0.467  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.128  -1.087   1.154  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.531   0.245   1.086  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.795   1.158   0.333  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.656   0.738  -0.355  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 3