REMARK  Name = BDB051273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.296  -0.671  -1.700  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.015  -0.566  -1.224  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.718  -1.714  -0.831  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -0.084  -2.963  -0.937  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.220  -3.066  -1.434  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.911  -1.920  -1.822  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.088  -1.601  -0.318  0.00  0.00    +0.095 A 
ATOM      8  N   LIG    1       -2.560  -0.434   0.157  0.00  0.00    -0.164 NA
ATOM      9  N   LIG    1       -3.826  -0.702   0.527  0.00  0.00    -0.215 N 
ATOM     10  C   LIG    1       -4.179  -2.009   0.311  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -5.433  -2.480   0.628  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -5.694  -3.444   0.466  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1       -6.383  -1.641   1.181  0.00  0.00    +0.259 A 
ATOM     14  C   LIG    1       -5.993  -0.217   1.413  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -6.912   0.678   1.968  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -6.542   2.009   2.182  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.258   2.450   1.845  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.332   1.565   1.291  0.00  0.00    +0.028 A 
ATOM     19  O   LIG    1       -7.502  -2.050   1.470  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -4.708   0.237   1.080  0.00  0.00    +0.080 A 
ATOM     21  C   LIG    1       -3.082  -2.621  -0.236  0.00  0.00    +0.076 A 
ENDBRANCH   3   7
BRANCH   1  27
ATOM     22  C   LIG    1        6.939   1.278   0.155  0.00  0.00    +0.105 C 
ATOM     23  N   LIG    1        5.652   1.904  -0.136  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1        4.539   1.244   0.574  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1        3.709   0.260  -0.274  0.00  0.00    +0.123 C 
ATOM     26  N   LIG    1        3.206   0.875  -1.509  0.00  0.00    -0.295 N 
ATOM     27  C   LIG    1        2.002   0.556  -2.124  0.00  0.00    +0.247 C 
ATOM     28  O   LIG    1        1.492   1.234  -3.012  0.00  0.00    -0.270 OA
ATOM     29  C   LIG    1        3.939   2.050  -1.984  0.00  0.00    +0.123 C 
ATOM     30  C   LIG    1        5.425   1.983  -1.595  0.00  0.00    +0.103 C 
ENDBRANCH   1  27
TORSDOF 2