REMARK  Name = BDB051639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.356  -0.119  -0.076  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -1.004  -0.360  -0.278  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.944   0.737   0.029  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -1.807   1.939  -0.932  0.00  0.00    +0.131 C 
ATOM      5  N   LIG    1       -2.749   2.993  -0.605  0.00  0.00    -0.309 N 
ATOM      6  H   LIG    1       -2.551   3.952  -0.866  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.053   2.736  -0.262  0.00  0.00    +0.244 C 
ATOM      8  C   LIG    1       -4.411   1.310  -0.017  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -5.760   0.961   0.112  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -6.119  -0.373   0.298  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.137  -1.363   0.336  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.786  -1.024   0.197  0.00  0.00    -0.040 A 
ATOM     13  C   LIG    1       -2.718  -2.082   0.191  0.00  0.00    +0.054 C 
ATOM     14  O   LIG    1       -4.880   3.635  -0.178  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -3.410   0.323   0.054  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1       -1.570  -1.639  -0.717  0.00  0.00    +0.113 C 
ATOM     17  O   LIG    1        0.742   0.952   0.396  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        1.327  -1.234  -0.457  0.00  0.00    +0.131 C 
BRANCH  18  22
ATOM     19  C   LIG    1        5.498  -0.073  -0.403  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        4.841  -0.394   0.785  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        3.493  -0.769   0.766  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        2.784  -0.831  -0.441  0.00  0.00    -0.038 A 
ATOM     23  C   LIG    1        3.446  -0.500  -1.629  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        4.792  -0.129  -1.606  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        7.549   0.437   0.681  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        6.806   0.305  -0.524  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3