REMARK  Name = BDB027768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.640   0.054  -0.017  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1        2.319  -0.285   1.086  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1        1.762  -1.215   1.870  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        0.527  -1.806   1.595  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.031  -2.804   2.469  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        0.770  -3.155   3.583  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.952  -2.592   3.886  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.125  -1.344   0.434  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        2.406  -1.648   3.019  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        0.447  -0.444  -0.378  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        4.215   2.000   0.523  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1        3.333   1.841  -0.658  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1        2.237   1.028  -0.912  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        1.856   1.371  -2.228  0.00  0.00    +0.146 A 
ATOM     15  N   LIG    1        2.629   2.317  -2.766  0.00  0.00    -0.181 NA
ATOM     16  N   LIG    1        3.517   2.581  -1.796  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        4.228   3.283  -1.976  0.00  0.00    +0.189 HD
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1       -1.387  -1.881   0.113  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1       -1.970  -1.804   0.942  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.150  -1.400  -1.051  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -1.446  -1.650  -2.386  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.730  -0.015  -0.809  0.00  0.00    -0.028 A 
ATOM     23  C   LIG    1       -2.185   1.144  -1.380  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -2.740   2.400  -1.123  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.850   2.519  -0.292  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.407   1.382   0.286  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.850   0.126   0.032  0.00  0.00    +0.005 A 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 4