REMARK  Name = BDB016467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.484   1.148   0.846  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -2.195   0.961   0.505  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -1.294   0.975   1.501  0.00  0.00    +0.144 A 
ATOM      4  C   LIG    1       -1.650   1.240   2.831  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -3.004   1.376   3.063  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1       -3.940   1.352   2.096  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.984   0.061  -0.906  0.00  0.00    -0.034 A 
ATOM      8  C   LIG    1       -4.469   1.198  -0.236  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.924   2.478  -0.630  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -5.844   2.649  -1.663  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.333   1.537  -2.331  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.908   0.262  -1.959  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -3.308  -1.796  -1.273  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -4.619  -1.390  -0.599  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -4.628  -1.775   0.882  0.00  0.00    +0.012 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  N   LIG    1       -0.717   1.176   3.890  0.00  0.00    -0.354 N 
ATOM     17  H   LIG    1        0.216   1.364   3.514  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -0.729   0.260   4.333  0.00  0.00    +0.142 HD
ENDBRANCH   4  16
BRANCH   3  19
ATOM     19  N   LIG    1        0.075   0.738   1.230  0.00  0.00    -0.323 N 
ATOM     20  H   LIG    1        0.387  -0.035   1.811  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.371   0.487  -0.175  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.848   0.190  -0.309  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.792   1.214  -0.162  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.159   0.942  -0.268  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        4.622  -0.359  -0.522  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        3.668  -1.380  -0.662  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        2.299  -1.112  -0.555  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.062  -0.644  -0.634  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1        6.957  -0.264   0.379  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        8.324  -0.535   0.274  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.820  -1.192  -0.850  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.950  -1.577  -1.866  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.583  -1.306  -1.759  0.00  0.00    +0.008 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7