REMARK  Name = BDB002929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.272   0.994   0.778  0.00  0.00    +0.105 C 
ATOM      2  C   LIG    1       -0.947   2.316   1.093  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1       -1.979   2.394   1.755  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -0.347   3.566   0.603  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        0.912   3.561   0.028  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        1.485   4.758  -0.425  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        0.786   5.959  -0.301  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.480   5.968   0.279  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.651   2.305  -0.094  0.00  0.00    +0.210 C 
ATOM     10  O   LIG    1        2.801   2.292  -0.533  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -1.047   4.775   0.733  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.991   1.013   0.293  0.00  0.00    +0.107 C 
ENDROOT
BRANCH  12  13
ATOM     13  N   LIG    1        1.843  -0.061   0.034  0.00  0.00    -0.277 N 
ATOM     14  H   LIG    1        2.697   0.244  -0.434  0.00  0.00    +0.155 HD
ATOM     15  C   LIG    1        1.747  -1.403   0.326  0.00  0.00    +0.248 C 
ATOM     16  O   LIG    1        0.810  -1.946   0.899  0.00  0.00    -0.270 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.898  -2.242  -0.113  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        4.216  -1.765  -0.101  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        5.260  -2.594  -0.520  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.995  -3.897  -0.942  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.687  -4.380  -0.939  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.640  -3.557  -0.520  0.00  0.00    +0.013 A 
ENDBRANCH  15  17
ENDBRANCH  12  13
BRANCH   1  23
ATOM     23  N   LIG    1       -1.000  -0.144   1.117  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -0.403  -0.979   1.190  0.00  0.00    +0.152 HD
BRANCH  23  28
ATOM     25  C   LIG    1       -4.575  -3.541   1.011  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -4.022  -2.237   0.520  0.00  0.00    -0.049 A 
ATOM     27  C   LIG    1       -2.784  -1.771   0.988  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1       -2.248  -0.541   0.566  0.00  0.00    +0.032 A 
ATOM     29  C   LIG    1       -3.011   0.240  -0.307  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -4.253  -0.206  -0.770  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -4.758  -1.438  -0.357  0.00  0.00    +0.003 A 
ENDBRANCH  23  28
ENDBRANCH   1  23
TORSDOF 4