REMARK  Name = BDB059641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.559   0.779  -0.243  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -2.963   0.647   0.305  0.00  0.00    +0.279 A 
ATOM      3  O   LIG    1       -3.807   1.533   0.274  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -3.261  -0.603   0.873  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1       -2.382  -1.663   0.938  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1       -3.049  -2.690   1.558  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -4.326  -2.171   1.835  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -1.146  -1.495   0.420  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -0.449  -2.241   0.423  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -4.470  -0.908   1.423  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1       -0.736  -0.301  -0.167  0.00  0.00    +0.060 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        0.603  -0.294  -0.676  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1        1.750  -0.442   0.069  0.00  0.00    +0.118 A 
ATOM     14  N   LIG    1        2.790  -0.387  -0.825  0.00  0.00    -0.263 N 
ATOM     15  N   LIG    1        2.380  -0.241  -2.101  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        1.048  -0.191  -2.009  0.00  0.00    +0.144 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.226  -0.481  -0.507  0.00  0.00    +0.158 C 
ATOM     18  C   LIG    1        4.657   0.400   0.662  0.00  0.00    +0.189 C 
ATOM     19  O   LIG    1        4.724  -0.748   1.548  0.00  0.00    -0.375 OA
ATOM     20  C   LIG    1        4.575  -1.645   0.417  0.00  0.00    +0.189 C 
ENDBRANCH  14  17
ENDBRANCH  11  12
BRANCH   1  22
ATOM     21  C   LIG    1       -1.272   3.269   0.212  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -1.180   2.140  -0.820  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -1.973   2.475  -2.086  0.00  0.00    +0.012 C 
ENDBRANCH   1  22
BRANCH   6  24
ATOM     24  C   LIG    1       -2.551  -3.988   1.850  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1       -2.130  -5.044   2.081  0.00  0.00    -0.191 NA
ENDBRANCH   6  24
TORSDOF 4