REMARK  Name = BDB047173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.531  -0.405   0.430  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -1.495  -0.228  -0.504  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.494  -1.196  -0.709  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.548  -2.387   0.018  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.569  -2.594   0.938  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.547  -1.614   1.141  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -2.645   2.459  -0.531  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.480   1.879   0.144  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1       -3.521   0.603   0.643  0.00  0.00    -0.203 N 
ATOM     10  C   LIG    1       -4.655   0.463   1.401  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1       -5.100  -0.481   2.031  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -5.384   1.735   1.353  0.00  0.00    +0.073 C 
ATOM     13  C   LIG    1       -4.687   2.578   0.598  0.00  0.00    +0.073 C 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        0.605  -0.962  -1.722  0.00  0.00    +0.093 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.001  -1.042  -1.116  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        2.554   0.112  -0.361  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        3.827  -0.040   0.187  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        4.421   0.998   0.916  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        3.736   2.198   1.096  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        2.464   2.359   0.548  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.550  -1.306  -0.013  0.00  0.00    +0.272 A 
ATOM     22  O   LIG    1        5.670  -1.484   0.452  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1        3.898  -2.264  -0.748  0.00  0.00    -0.242 N 
ATOM     24  H   LIG    1        4.381  -3.145  -0.896  0.00  0.00    +0.192 HD
ATOM     25  C   LIG    1        1.873   1.321  -0.180  0.00  0.00    +0.010 A 
ATOM     26  N   LIG    1        2.655  -2.154  -1.288  0.00  0.00    -0.175 NA
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 3