REMARK  Name = BDB026440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.175   2.595   1.193  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        1.255   2.932   0.196  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        1.511   3.521  -0.841  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        0.007   2.481   0.624  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        0.070   1.971   1.974  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        1.561   1.754   2.196  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.608   2.688   1.008  0.00  0.00    +0.146 C 
BRANCH   7  11
ATOM      8  C   LIG    1        5.360  -0.981  -0.328  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        5.616  -0.524   0.925  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        5.050   0.643   1.308  0.00  0.00    +0.116 A 
ATOM     11  C   LIG    1        4.216   1.408   0.507  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1        3.960   0.928  -0.776  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        4.535  -0.272  -1.198  0.00  0.00    +0.028 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.796  -2.931   0.158  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        6.006  -2.268  -0.707  0.00  0.00    -0.032 C 
ATOM     16  C   LIG    1        5.765  -2.824  -2.083  0.00  0.00    +0.045 C 
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -1.240   2.712  -0.090  0.00  0.00    +0.142 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.698   1.552  -0.999  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.707   1.288  -2.002  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -1.088   0.658  -2.637  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.023   0.238  -0.253  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.028   0.344   0.822  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.390   0.621   0.325  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.088  -0.558  -0.318  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -4.717  -1.877   0.003  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -5.404  -2.953  -0.576  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.466  -2.722  -1.450  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.847  -1.418  -1.755  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.543  -2.136   0.913  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -6.165  -0.340  -1.190  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -3.070  -0.875   1.653  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 8