REMARK  Name = BDB012772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.281  -0.515  -0.902  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1       -0.642  -0.362   0.120  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -2.061  -0.559  -0.149  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.759  -0.214   1.173  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.832   0.845   1.764  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.448   0.333   1.387  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.084  -0.767  -2.048  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        3.842   0.055  -0.527  0.00  0.00    +0.235 A 
ATOM      9  N   LIG    1        3.595  -0.543   0.638  0.00  0.00    -0.135 NA
ATOM     10  N   LIG    1        2.285  -0.833   0.558  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        1.866  -1.368   1.310  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        1.673  -0.360  -0.571  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        2.696   0.182  -1.325  0.00  0.00    +0.101 A 
BRANCH   8  14
ATOM     14  O   LIG    1        5.077   0.484  -0.866  0.00  0.00    -0.473 OA
BRANCH  14  16
ATOM     15  C   LIG    1        7.205   1.263  -0.165  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1        6.119   0.217   0.079  0.00  0.00    +0.169 C 
ATOM     17  C   LIG    1        6.688  -1.183  -0.144  0.00  0.00    +0.051 C 
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   1  12
BRANCH   4  18
ATOM     18  N   LIG    1       -4.118   0.254   1.014  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -4.292   1.235   0.836  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -5.132  -0.632   0.745  0.00  0.00    +0.216 C 
ATOM     21  O   LIG    1       -5.015  -1.849   0.755  0.00  0.00    -0.276 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -6.435   0.008   0.441  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1       -7.162  -0.351  -0.835  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -6.570   1.018  -0.677  0.00  0.00    +0.013 C 
ENDBRANCH  20  22
ENDBRANCH   4  18
TORSDOF 5