REMARK  Name = BDB047665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.174   5.241   0.316  0.00  0.00    -0.279 OA
ATOM      2  C   LIG    1       -1.948   4.291   0.280  0.00  0.00    +0.335 C 
ATOM      3  N   LIG    1       -1.569   2.978   0.191  0.00  0.00    -0.236 N 
ATOM      4  C   LIG    1       -2.443   1.901   0.150  0.00  0.00    +0.254 C 
ATOM      5  O   LIG    1       -3.659   1.917   0.182  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -1.615   0.691   0.057  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.987  -0.628  -0.010  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -3.356  -1.227  -0.031  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -3.043  -2.694   0.303  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1       -1.632  -2.978  -0.229  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -1.000  -1.618  -0.118  0.00  0.00    -0.020 A 
ATOM     12  C   LIG    1        0.347  -1.237  -0.144  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1        0.744   0.105  -0.064  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.173   0.132  -0.116  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        2.610  -1.189  -0.230  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        3.964  -1.536  -0.307  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        4.902  -0.501  -0.267  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.500   0.827  -0.155  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        3.142   1.157  -0.079  0.00  0.00    +0.010 A 
ATOM     20  N   LIG    1        1.491  -1.989  -0.248  0.00  0.00    -0.354 N 
ATOM     21  H   LIG    1        1.510  -2.995  -0.323  0.00  0.00    +0.166 HD
ATOM     22  C   LIG    1       -0.267   1.079   0.037  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1       -0.181   2.573   0.127  0.00  0.00    +0.153 C 
ENDROOT
TORSDOF 0