REMARK  Name = BDB053446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.108   0.312  -0.464  0.00  0.00    +0.196 C 
ATOM      2  N   LIG    1       -2.209   1.168  -1.482  0.00  0.00    -0.241 N 
ATOM      3  C   LIG    1       -3.357   1.688  -2.191  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1       -0.937   1.517  -1.855  0.00  0.00    +0.271 C 
ATOM      5  O   LIG    1       -0.556   2.266  -2.734  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.092   0.734  -0.914  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        1.245   0.807  -0.926  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -0.905   0.002  -0.085  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        2.166   0.091  -0.031  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.329   0.750   0.398  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.208   0.062   1.210  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        5.370   0.555   1.717  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        5.844  -0.585   2.464  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        4.966  -1.728   2.388  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        3.979  -1.237   1.592  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        2.859  -1.924   1.180  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        1.950  -1.251   0.356  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  20
ATOM     18  C   LIG    1       -5.150  -1.148   1.157  0.00  0.00    +0.109 C 
ATOM     19  C   LIG    1       -4.500  -0.171   0.210  0.00  0.00    +0.216 C 
ATOM     20  N   LIG    1       -3.112  -0.280   0.215  0.00  0.00    -0.258 N 
ATOM     21  H   LIG    1       -2.727  -0.905   0.911  0.00  0.00    +0.157 HD
ATOM     22  O   LIG    1       -5.170   0.631  -0.426  0.00  0.00    -0.276 OA
ENDBRANCH   1  20
TORSDOF 2