REMARK  Name = BDB017382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.553   0.448   0.330  0.00  0.00    +0.185 C 
ATOM      2  C   LIG    1        2.031   0.389   0.506  0.00  0.00    +0.241 C 
ATOM      3  O   LIG    1        1.423  -0.550   1.016  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        1.417   1.511   0.022  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1        2.159   2.676  -0.360  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        1.124   3.581  -1.015  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.160   3.223  -0.261  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1        3.222   2.357  -1.240  0.00  0.00    -0.356 OA
ATOM      9  C   LIG    1       -0.020   1.714  -0.028  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        3.774   1.042  -1.065  0.00  0.00    +0.194 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        4.476  -1.342   1.724  0.00  0.00    +0.230 C 
ATOM     12  N   LIG    1        4.114  -0.885   0.469  0.00  0.00    -0.301 N 
ATOM     13  H   LIG    1        3.692  -1.623  -0.095  0.00  0.00    +0.150 HD
ATOM     14  O   LIG    1        4.710  -0.605   2.676  0.00  0.00    -0.274 OA
BRANCH  11  15
ATOM     15  C   LIG    1        4.591  -2.879   1.800  0.00  0.00    +0.137 C 
ATOM     16  C   LIG    1        5.963  -3.291   1.273  0.00  0.00    +0.034 C 
BRANCH  15  18
ATOM     17  C   LIG    1        3.345  -4.899   1.224  0.00  0.00    +0.101 C 
ATOM     18  N   LIG    1        3.481  -3.464   0.999  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1        2.610  -3.015   1.307  0.00  0.00    +0.122 HD
ENDBRANCH  15  18
ENDBRANCH  11  15
ENDBRANCH   1  12
BRANCH   9  20
ATOM     20  C   LIG    1       -0.646   0.925  -1.197  0.00  0.00    +0.234 C 
ATOM     21  N   LIG    1       -2.005   0.772  -1.229  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -2.321   0.226  -2.022  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1        0.015   0.489  -2.142  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.950   0.951  -0.134  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -4.330   1.211  -0.705  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1       -5.343   0.234  -0.670  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.601   0.526  -1.221  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.848   1.761  -1.819  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.843   2.721  -1.871  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.138  -1.100   0.003  0.00  0.00    +0.035 C 
ATOM     31  C   LIG    1       -3.668  -1.447   0.220  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -4.592   2.449  -1.319  0.00  0.00    +0.006 A 
ATOM     33  C   LIG    1       -2.923  -0.257   0.817  0.00  0.00    +0.027 C 
ENDBRANCH  21  24
ENDBRANCH   9  20
TORSDOF 5