REMARK  Name = BDB062194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.226   0.932   0.741  0.00  0.00    +0.185 C 
ATOM      2  N   LIG    1        4.018   0.907  -0.350  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        4.979   1.188  -0.416  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        3.274   0.521  -1.418  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        3.618   0.398  -2.575  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.935   0.294  -0.807  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        0.892  -0.134  -1.529  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.996   0.576   0.542  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -0.468  -0.405  -1.037  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -1.072   0.360  -0.027  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -2.367   0.054   0.340  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -3.093   0.691   1.298  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -4.331  -0.046   1.236  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -4.327  -1.095   0.245  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -3.072  -0.962  -0.261  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -2.523  -1.726  -1.265  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -1.210  -1.438  -1.657  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        3.734   1.303   1.935  0.00  0.00    -0.331 N 
ATOM     19  H   LIG    1        3.115   1.069   2.707  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        4.697   1.055   2.115  0.00  0.00    +0.145 HD
ENDBRANCH   1  18
TORSDOF 2