REMARK  Name = BDB049960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.220   0.420   0.734  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        1.168   1.212  -0.047  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -0.057   0.447   0.093  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -1.276   0.992  -0.286  0.00  0.00    +0.267 C 
ATOM      5  O   LIG    1       -1.312   2.098  -0.833  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.207  -0.865   0.666  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        1.721  -1.018   0.593  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.533   0.249  -0.033  0.00  0.00    +0.147 A 
ATOM      9  N   LIG    1       -2.635  -0.894   0.672  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1       -3.943  -1.189   0.660  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -4.249  -2.026   1.145  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -4.710  -0.288  -0.022  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -3.822   0.660  -0.480  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -6.194  -0.431  -0.153  0.00  0.00    +0.031 C 
ATOM     15  C   LIG    1       -6.603  -0.568  -1.620  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -6.917   0.746   0.501  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1        4.662   0.214   0.996  0.00  0.00    +0.216 C 
ATOM     18  N   LIG    1        3.573   0.595   0.239  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        3.708   0.775  -0.747  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        4.560  -0.201   2.146  0.00  0.00    -0.276 OA
BRANCH  17  22
ATOM     21  C   LIG    1        6.106  -0.668  -0.857  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1        5.997   0.358   0.269  0.00  0.00    +0.069 C 
ATOM     23  C   LIG    1        7.167   0.205   1.240  0.00  0.00    +0.017 C 
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 4