REMARK  Name = BDB016500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.039   1.957  -1.821  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1       -0.614   1.933  -0.497  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        0.117   2.341   0.551  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1       -0.703   2.190   1.609  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1       -0.327   2.604   2.971  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        0.994   2.495   3.377  0.00  0.00    -0.307 N 
ATOM      7  H   LIG    1        1.099   2.843   4.321  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        1.806   1.325   3.060  0.00  0.00    +0.137 C 
ATOM      9  C   LIG    1        2.735   1.485   1.844  0.00  0.00    +0.153 C 
ATOM     10  O   LIG    1        4.086   1.714   2.302  0.00  0.00    -0.372 OA
ATOM     11  C   LIG    1        5.095   1.445   1.311  0.00  0.00    +0.179 C 
ATOM     12  C   LIG    1        4.577   1.300  -0.127  0.00  0.00    +0.139 C 
ATOM     13  N   LIG    1        3.514   0.305  -0.194  0.00  0.00    -0.263 N 
ATOM     14  C   LIG    1        3.368  -0.517  -1.287  0.00  0.00    +0.403 C 
ATOM     15  O   LIG    1        2.359  -1.413  -1.110  0.00  0.00    -0.448 OA
ATOM     16  C   LIG    1        2.184  -2.362  -2.175  0.00  0.00    +0.257 C 
ATOM     17  C   LIG    1        1.192  -3.423  -1.718  0.00  0.00    +0.184 C 
ATOM     18  N   LIG    1       -0.188  -3.011  -1.907  0.00  0.00    -0.268 N 
ATOM     19  N   LIG    1       -0.796  -3.276  -3.079  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1       -2.050  -2.865  -2.881  0.00  0.00    +0.144 A 
ATOM     21  C   LIG    1       -2.256  -2.324  -1.590  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -3.445  -1.757  -0.976  0.00  0.00    +0.075 A 
ATOM     23  N   LIG    1       -3.249  -0.983   0.118  0.00  0.00    -0.242 NA
ATOM     24  C   LIG    1       -4.331  -0.341   0.633  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1       -4.143   0.541   1.824  0.00  0.00    +0.267 C 
ATOM     26  N   LIG    1       -2.994   1.269   2.049  0.00  0.00    -0.277 N 
ATOM     27  H   LIG    1       -2.945   1.659   2.988  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1       -5.048   0.588   2.662  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1       -5.622  -0.510   0.142  0.00  0.00    +0.033 A 
ATOM     30  C   LIG    1       -5.809  -1.338  -0.957  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.705  -1.963  -1.532  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -1.013  -2.420  -0.993  0.00  0.00    +0.118 A 
ATOM     33  O   LIG    1        4.064  -0.465  -2.292  0.00  0.00    -0.226 OA
ATOM     34  C   LIG    1        2.653   0.216   0.979  0.00  0.00    +0.144 C 
ATOM     35  O   LIG    1       -1.161   3.024   3.775  0.00  0.00    -0.268 OA
ATOM     36  C   LIG    1       -1.950   1.612   1.208  0.00  0.00    +0.084 A 
ATOM     37  C   LIG    1       -1.868   1.529  -0.160  0.00  0.00    +0.132 A 
ENDROOT
TORSDOF 0