REMARK  Name = BDB012971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.623  -0.549   1.200  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.729  -0.661   0.900  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.665  -1.031   1.957  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.029  -1.085   1.262  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        2.655  -1.574  -0.137  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.314  -0.900  -0.414  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.026  -0.736   2.346  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.267   0.006  -1.248  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -2.303   0.781  -1.761  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -1.295   0.665  -0.884  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -0.470   1.234  -1.033  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -1.528  -0.220   0.129  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -2.836  -0.626  -0.059  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.342   1.224  -1.966  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -4.608  -0.117  -1.914  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -4.494  -0.724  -3.314  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.676   0.226   1.215  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        3.376   0.882   0.504  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.408   0.688   2.291  0.00  0.00    +0.227 C 
ATOM     20  O   LIG    1        4.592   0.010   3.300  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.910   2.111   2.194  0.00  0.00    +0.214 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.587   2.362   0.923  0.00  0.00    +0.072 C 
ATOM     23  N   LIG    1        6.082   2.573  -0.105  0.00  0.00    -0.196 NA
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5