REMARK  Name = BDB027795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.204  -1.289  -0.289  0.00  0.00    +0.165 A 
ATOM      2  N   LIG    1        1.226  -2.588  -0.618  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1        0.037  -3.180  -0.801  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -1.179  -2.511  -0.650  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -2.389  -3.205  -0.887  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -2.339  -4.539  -1.245  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.188  -5.219  -1.381  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -1.084  -1.159  -0.275  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1       -0.044  -4.517  -1.160  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        0.100  -0.549  -0.109  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.032   0.866   0.288  0.00  0.00    -0.271 N 
ATOM     12  N   LIG    1        4.736  -0.253   0.034  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        3.791  -1.167  -0.209  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1        2.485  -0.642  -0.106  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        2.682   0.685   0.222  0.00  0.00    +0.120 A 
BRANCH  11  17
ATOM     16  C   LIG    1        5.165   2.843  -0.648  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1        4.728   2.099   0.601  0.00  0.00    +0.140 C 
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   8  18
ATOM     18  N   LIG    1       -2.272  -0.414  -0.083  0.00  0.00    -0.328 N 
ATOM     19  H   LIG    1       -2.836  -0.901   0.609  0.00  0.00    +0.147 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.065   0.989   0.280  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.417   1.723   0.365  0.00  0.00    -0.000 C 
ATOM     22  C   LIG    1       -4.246   1.261   1.566  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -3.186   3.233   0.451  0.00  0.00    +0.009 C 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 5