REMARK  Name = BDB012777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.974  -0.579   0.553  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1        2.098   0.529  -0.043  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.739   0.171   0.342  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.327   0.943  -0.094  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -0.143   1.903  -0.839  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.689  -1.192   0.856  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        2.046  -1.790   0.503  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.647   0.573   0.346  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -1.984   0.136   1.595  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -1.375   0.024   2.397  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -3.285  -0.160   1.744  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -3.832   0.190   0.573  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -2.850   0.669  -0.326  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.312   0.051   0.357  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -5.625  -0.930  -0.775  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -5.971   1.405   0.091  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1        5.263   0.065  -0.026  0.00  0.00    +0.400 C 
ATOM     18  N   LIG    1        4.214  -0.794  -0.156  0.00  0.00    -0.277 N 
ATOM     19  H   LIG    1        4.248  -1.382  -0.978  0.00  0.00    +0.152 HD
ATOM     20  O   LIG    1        5.324   0.983   0.777  0.00  0.00    -0.226 OA
BRANCH  17  22
ATOM     21  C   LIG    1        7.358   0.596  -0.899  0.00  0.00    +0.282 C 
ATOM     22  O   LIG    1        6.210  -0.252  -0.940  0.00  0.00    -0.454 OA
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 4