REMARK  Name = BDB062854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.399   0.012  -0.022  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -0.570   0.037  -1.163  0.00  0.00    +0.252 C 
ATOM      3  O   LIG    1       -0.610   0.835  -2.095  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        0.473  -0.994  -1.294  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.755  -0.809  -0.795  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        2.400   0.280  -0.080  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1        3.723  -0.090   0.222  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.946  -1.446  -0.315  0.00  0.00    +0.194 C 
ATOM      9  O   LIG    1        4.961  -2.105  -0.231  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1        4.611   0.719   0.905  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        4.147   1.972   1.302  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.832   2.374   1.006  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.952   1.531   0.311  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.681  -1.855  -0.958  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        2.398  -3.047  -1.603  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.115  -3.203  -2.125  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        0.159  -2.183  -1.978  0.00  0.00    +0.014 A 
ENDBRANCH   2   4
BRANCH   1  18
ATOM     18  C   LIG    1       -2.426   1.012   0.186  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -2.356   2.280  -0.411  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -3.337   3.255  -0.187  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.416   2.984   0.644  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.513   1.738   1.250  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.529   0.766   1.025  0.00  0.00    +0.023 A 
ENDBRANCH   1  18
BRANCH   1  24
ATOM     24  C   LIG    1       -1.286  -1.069   0.976  0.00  0.00    +0.234 C 
BRANCH  24  26
ATOM     25  O   LIG    1       -2.658  -2.548  -0.410  0.00  0.00    -0.249 OA
ATOM     26  C   LIG    1       -2.156  -2.287   0.672  0.00  0.00    +0.323 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -2.298  -3.112   1.739  0.00  0.00    -0.480 OA
ATOM     28  H   LIG    1       -1.839  -2.830   2.553  0.00  0.00    +0.295 HD
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 5