REMARK  Name = BDB016274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.417   1.141   0.700  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -1.600   0.522   0.209  0.00  0.00    +0.150 A 
ATOM      3  O   LIG    1       -1.348  -0.593  -0.539  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.290  -1.066  -1.489  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1       -3.514  -1.626  -0.807  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -4.509  -0.576  -0.438  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1       -4.119   0.568   0.174  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1       -4.924   1.131   0.424  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -5.714  -0.758  -0.630  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.525  -0.100  -2.648  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -2.854   1.070   0.525  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -2.902   2.256   1.282  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -1.746   2.877   1.747  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -0.509   2.318   1.462  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  25
ATOM     15  C   LIG    1        0.801  -0.918   2.448  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1        1.533  -0.385   1.243  0.00  0.00    -0.032 A 
ATOM     17  C   LIG    1        2.828  -0.841   0.890  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        3.753  -1.773   1.420  0.00  0.00    +0.143 A 
ATOM     19  N   LIG    1        4.881  -1.855   0.711  0.00  0.00    -0.179 NA
ATOM     20  N   LIG    1        4.684  -0.975  -0.287  0.00  0.00    -0.267 N 
ATOM     21  C   LIG    1        5.712  -0.787  -1.283  0.00  0.00    +0.173 C 
ATOM     22  C   LIG    1        3.470  -0.330  -0.235  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        2.891   0.635  -1.062  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        1.615   1.084  -0.717  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        0.928   0.598   0.410  0.00  0.00    -0.011 A 
ENDBRANCH   1  25
TORSDOF 1