REMARK  Name = BDB027612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.054  -0.966   0.078  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.581  -2.170   0.580  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.973  -2.235   0.655  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        3.502  -3.422   1.140  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.794  -4.507   1.550  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.456  -4.404   1.483  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.773  -1.225   0.288  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        3.179  -0.107  -0.155  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.810  -3.275   1.014  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        1.850   0.054  -0.270  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        4.045   1.019  -0.553  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.512   2.213  -1.062  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.366   3.244  -1.423  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.708   3.177  -1.318  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        6.216   2.029  -0.829  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        5.442   0.946  -0.441  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.336  -0.839  -0.048  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -0.677  -1.617  -0.607  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -0.714   0.775  -1.884  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1       -1.029   0.420  -0.417  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -0.618   1.577   0.513  0.00  0.00    +0.031 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.578   0.102  -0.270  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -3.517   1.207  -0.803  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.990   0.816  -0.681  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.363   0.440   0.747  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -4.450  -0.653   1.287  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -2.979  -0.257   1.182  0.00  0.00    +0.005 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4