REMARK  Name = BDB051641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.728   0.527   0.920  0.00  0.00    +0.221 C 
ATOM      2  N   LIG    1       -0.571   0.052   0.747  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.480   0.849  -0.102  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -1.006   0.925  -1.572  0.00  0.00    +0.131 C 
ATOM      5  N   LIG    1       -1.924   1.693  -2.393  0.00  0.00    -0.309 N 
ATOM      6  H   LIG    1       -1.595   2.141  -3.240  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.286   1.564  -2.289  0.00  0.00    +0.244 C 
ATOM      8  C   LIG    1       -3.796   0.780  -1.131  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -5.152   0.434  -1.091  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.646  -0.329  -0.034  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.787  -0.763   0.975  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.427  -0.431   0.938  0.00  0.00    -0.040 A 
ATOM     13  C   LIG    1       -2.481  -0.915   1.999  0.00  0.00    +0.054 C 
ATOM     14  O   LIG    1       -4.037   2.060  -3.119  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.926   0.370  -0.102  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1       -1.100  -1.155   1.386  0.00  0.00    +0.113 C 
ATOM     17  O   LIG    1        1.041   1.659   0.544  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        1.735  -0.397   1.600  0.00  0.00    +0.134 C 
BRANCH  18  20
ATOM     19  C   LIG    1        3.593  -0.523  -0.127  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1        3.164  -0.151   1.162  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        4.066   0.471   2.040  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        5.382   0.709   1.648  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.808   0.329   0.379  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.918  -0.285  -0.506  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        2.968  -1.271  -2.298  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        2.648  -1.122  -0.920  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 3