REMARK  Name = BDB017041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.871  -0.424  -0.041  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        2.291   0.135   1.082  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        1.076  -0.366   1.131  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.847  -1.227   0.094  0.00  0.00    -0.332 N 
ATOM      5  C   LIG    1        1.987  -1.284  -0.658  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        6.285   1.047  -0.254  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.982   0.820   0.183  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        4.229  -0.138  -0.481  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        4.704  -0.846  -1.539  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.960  -0.580  -1.955  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.784   0.350  -1.353  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        7.973   2.709  -0.227  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        7.161   2.046   0.395  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.013   2.114   1.734  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.439   1.433   2.131  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.370  -1.986  -0.130  0.00  0.00    +0.157 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.478  -1.116  -0.666  0.00  0.00    -0.027 A 
ATOM     18  C   LIG    1       -2.546  -0.731   0.163  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1       -3.588   0.083  -0.313  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1       -3.538   0.509  -1.649  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -2.482   0.138  -2.482  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -1.456  -0.670  -1.994  0.00  0.00    +0.005 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.700   0.479   0.566  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1       -6.032   0.199   0.218  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -7.088   0.572   1.054  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -6.829   1.233   2.252  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.516   1.521   2.615  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.460   1.147   1.778  0.00  0.00    +0.008 A 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6