REMARK  Name = BDB051746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -7.043  -0.374   0.915  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -6.194   0.170  -0.088  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -6.457   0.772  -1.427  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -5.226   0.638  -2.361  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -3.897   0.801  -1.664  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -3.727   0.466  -0.329  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1       -2.562   0.526   0.332  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1       -1.507   0.943  -0.376  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1       -1.554   1.272  -1.677  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -2.746   1.190  -2.299  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -4.907   0.051   0.404  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1       -5.027  -0.538   1.626  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1       -3.973  -0.901   2.544  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -6.307  -0.812   1.955  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1      -10.595   0.707   0.413  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -9.161   0.597   0.331  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -8.624   1.448   0.240  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -8.514  -0.482   0.916  0.00  0.00    +0.264 C 
ATOM     19  O   LIG    1       -9.126  -1.427   1.408  0.00  0.00    -0.268 OA
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  N   LIG    1       -0.314   1.010   0.321  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1       -0.425   0.468   1.170  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        0.924   0.813  -0.425  0.00  0.00    +0.076 C 
ATOM     23  C   LIG    1        1.118  -0.659  -0.829  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        2.127  -1.368   0.063  0.00  0.00    +0.111 C 
ATOM     25  N   LIG    1        3.428  -0.705   0.044  0.00  0.00    -0.285 N 
ATOM     26  C   LIG    1        4.491  -1.405   0.600  0.00  0.00    +0.305 C 
ATOM     27  N   LIG    1        5.762  -0.905   0.380  0.00  0.00    -0.283 N 
ATOM     28  C   LIG    1        6.154  -0.241  -0.870  0.00  0.00    +0.124 C 
ATOM     29  C   LIG    1        7.518  -0.730  -1.398  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        8.632  -0.638  -0.433  0.00  0.00    -0.302 NA
ATOM     31  C   LIG    1        9.443   0.558  -0.639  0.00  0.00    +0.105 C 
ATOM     32  C   LIG    1        8.166  -0.720   0.969  0.00  0.00    +0.103 C 
ATOM     33  C   LIG    1        6.861  -1.516   1.131  0.00  0.00    +0.124 C 
ATOM     34  O   LIG    1        4.308  -2.428   1.262  0.00  0.00    -0.252 OA
ATOM     35  C   LIG    1        3.415   0.758  -0.022  0.00  0.00    +0.111 C 
ATOM     36  C   LIG    1        2.083   1.338   0.438  0.00  0.00    +0.041 C 
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 3