REMARK  Name = BDB026498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.770  -0.471   0.570  0.00  0.00    -0.295 N 
ATOM      2  C   LIG    1        2.209   0.806   0.815  0.00  0.00    +0.330 A 
ATOM      3  O   LIG    1        2.634   1.669   1.562  0.00  0.00    -0.246 OA
ATOM      4  N   LIG    1        1.079   0.845  -0.039  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        1.015  -0.327  -0.762  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        2.032  -1.118  -0.396  0.00  0.00    +0.108 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.981  -0.950   1.186  0.00  0.00    +0.161 C 
BRANCH   7  11
ATOM      8  C   LIG    1        7.417  -0.363  -1.369  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        6.856   0.719  -0.686  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        5.748   0.524   0.143  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        5.190  -0.753   0.300  0.00  0.00    -0.028 A 
ATOM     12  C   LIG    1        5.756  -1.833  -0.392  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        6.864  -1.639  -1.221  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1        9.471  -0.013  -2.916  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        8.552  -0.166  -2.223  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1        0.168   1.964  -0.139  0.00  0.00    +0.159 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.044   1.910   0.812  0.00  0.00    +0.148 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.632   2.010   2.179  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -1.371   1.635   2.698  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -1.913   0.646   0.634  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.044   0.599   1.595  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.702  -0.726   1.567  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.593  -0.966   0.366  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.155   0.112  -0.343  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.006  -0.137  -1.428  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.315  -1.447  -1.794  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.775  -2.516  -1.083  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.797   1.531   0.021  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -4.921  -2.278  -0.006  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.071   1.633   1.372  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8