REMARK  Name = BDB017466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.224  -0.672   0.300  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1       -0.874  -0.243  -0.509  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.815  -1.258  -0.405  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -3.054  -1.225  -1.056  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -3.377  -0.101  -1.840  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.420   0.920  -1.966  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -1.249  -2.189   0.420  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -1.649  -3.069   0.721  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -1.178   0.871  -1.312  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -0.025  -1.864   0.864  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.706  -0.025  -2.557  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -6.024   0.026  -1.811  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -6.195   0.009  -0.318  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -7.340  -0.751  -0.028  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -7.801  -0.977   1.252  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -7.076  -0.409   2.300  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.930   0.364   2.041  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -7.913  -1.205  -1.219  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -8.752  -1.757  -1.293  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -5.488   0.580   0.730  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -7.200  -0.775  -2.324  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1       -7.449  -0.990  -3.498  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -5.531   1.246  -2.534  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     24  C   LIG    1        2.471  -0.335   1.250  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        1.437   0.070   0.492  0.00  0.00    +0.031 C 
BRANCH  24  28
ATOM     26  C   LIG    1        6.148   0.421   1.632  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        4.932  -0.259   1.448  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        3.712   0.429   1.426  0.00  0.00    -0.025 A 
ATOM     29  C   LIG    1        3.712   1.815   1.624  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        4.912   2.502   1.814  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.122   1.810   1.816  0.00  0.00    +0.005 A 
BRANCH  26  32
ATOM     32  C   LIG    1        7.460  -0.336   1.641  0.00  0.00    +0.119 C 
BRANCH  32  34
ATOM     33  C   LIG    1        7.384  -1.321  -0.598  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        8.141  -0.509   0.349  0.00  0.00    -0.304 NA
ATOM     35  C   LIG    1        8.563   0.749  -0.256  0.00  0.00    +0.104 C 
ENDBRANCH  32  34
ENDBRANCH  26  32
ENDBRANCH  24  28
ENDBRANCH   1  25
TORSDOF 5