REMARK  Name = BDB027717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.192  -0.470  -0.295  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1        1.468  -1.712   0.121  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1        0.471  -2.398   0.696  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.807  -1.871   0.884  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.806  -2.674   1.484  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -1.488  -3.958   1.885  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -0.264  -4.490   1.735  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.992  -0.551   0.434  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        0.668  -3.697   1.143  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1       -0.007   0.126  -0.171  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        4.141  -0.651   0.515  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1        3.627   0.218  -0.597  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1        2.264   0.300  -0.956  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.927   1.174  -2.007  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        2.917   1.893  -2.653  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        4.221   1.812  -2.338  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1        4.543   0.980  -1.325  0.00  0.00    +0.114 A 
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1       -2.244   0.057   0.621  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1       -2.477  -0.004   1.610  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.571   1.393   0.086  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -4.042   1.658   0.480  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -1.710   2.494   0.721  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -2.493   1.424  -1.446  0.00  0.00    +0.031 C 
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 3