REMARK  Name = BDB012954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.722   1.632  -0.954  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        1.530   2.143  -0.138  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.538   1.075  -0.226  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.698   1.241   0.383  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -0.964   2.273   0.995  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.852   0.170  -1.325  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        2.035   0.811  -2.044  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.654   0.170   0.264  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -1.376  -1.167   0.333  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -0.477  -1.605   0.493  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -2.447  -1.961   0.178  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -3.465  -1.100   0.099  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -3.031   0.238   0.164  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.942  -1.571  -0.045  0.00  0.00    +0.040 C 
ATOM     15  C   LIG    1       -5.954  -0.946   0.946  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -6.969  -0.937  -0.217  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1       -5.761  -0.903  -1.177  0.00  0.00    +0.010 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  20
ATOM     18  O   LIG    1        4.807   2.594   0.691  0.00  0.00    -0.276 OA
ATOM     19  C   LIG    1        4.569   1.396   0.651  0.00  0.00    +0.216 C 
ATOM     20  N   LIG    1        3.627   0.810  -0.160  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        3.380  -0.149   0.042  0.00  0.00    +0.149 HD
BRANCH  19  22
ATOM     22  C   LIG    1        5.275   0.451   1.550  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1        6.776   0.312   1.446  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        5.893  -0.827   1.029  0.00  0.00    +0.013 C 
ENDBRANCH  19  22
ENDBRANCH   1  20
TORSDOF 4