REMARK  Name = BDB026646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.624   2.478   0.454  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -1.794   1.394   1.013  0.00  0.00    +0.237 C 
ATOM      3  N   LIG    1       -0.802   0.460   1.260  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -1.066  -0.394   1.739  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.556   0.522   0.881  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        1.135   1.592   0.201  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        2.495   1.567  -0.139  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        3.311   0.474   0.189  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        2.718  -0.598   0.872  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.360  -0.574   1.213  0.00  0.00    +0.024 A 
BRANCH   8  11
ATOM     11  C   LIG    1        4.738   0.452  -0.170  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        5.289  -0.625  -0.883  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        6.645  -0.646  -1.225  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.473   0.411  -0.857  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.947   1.489  -0.150  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.591   1.509   0.190  0.00  0.00    +0.008 A 
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1       -3.177   1.053   1.544  0.00  0.00    +0.219 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.444  -0.367   1.702  0.00  0.00    -0.322 N 
ATOM     19  C   LIG    1       -3.830  -1.257   0.722  0.00  0.00    +0.141 A 
ATOM     20  N   LIG    1       -4.006  -2.454   1.252  0.00  0.00    -0.236 NA
ATOM     21  C   LIG    1       -3.741  -2.333   2.588  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1       -3.394  -1.042   2.895  0.00  0.00    +0.108 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.066  -0.919  -0.680  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -3.016  -0.552  -1.530  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -3.272  -0.217  -2.862  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.574  -0.262  -3.357  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.622  -0.650  -2.524  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.368  -0.982  -1.192  0.00  0.00    +0.011 A 
ENDBRANCH  19  23
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 5