REMARK  Name = BDB024490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.154  -0.723   2.223  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -3.495  -0.918   0.996  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.131  -1.858   0.049  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.412  -1.261  -0.558  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -3.232  -2.322  -1.108  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -1.808  -2.519  -0.634  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.325  -1.197  -0.114  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.028  -0.715  -0.381  0.00  0.00    +0.094 A 
ATOM      9  C   LIG    1        0.367   0.515   0.127  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1        1.653   0.670  -0.317  0.00  0.00    -0.342 N 
ATOM     11  H   LIG    1        2.278   1.443  -0.115  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1        1.996  -0.439  -1.050  0.00  0.00    +0.109 A 
ATOM     13  C   LIG    1       -0.458   1.323   0.902  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -1.741   0.829   1.172  0.00  0.00    +0.026 A 
ATOM     15  N   LIG    1        0.991  -1.288  -1.109  0.00  0.00    -0.232 NA
ATOM     16  C   LIG    1       -2.182  -0.418   0.699  0.00  0.00    +0.045 A 
ATOM     17  O   LIG    1       -5.277  -1.158   2.466  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -4.057   0.070   4.433  0.00  0.00    +0.282 C 
ATOM     19  O   LIG    1       -3.416  -0.067   3.165  0.00  0.00    -0.453 OA
ENDBRANCH   1  19
BRANCH  12  20
ATOM     20  C   LIG    1        3.336  -0.606  -1.692  0.00  0.00    +0.080 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.513  -0.350  -0.748  0.00  0.00    +0.063 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.932   1.103  -0.716  0.00  0.00    +0.042 A 
ATOM     23  N   LIG    1        4.104   1.981  -0.092  0.00  0.00    -0.260 NA
ATOM     24  C   LIG    1        4.492   3.278  -0.051  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        5.663   3.752  -0.616  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        6.492   2.844  -1.260  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.127   1.502  -1.312  0.00  0.00    +0.023 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  12  20
TORSDOF 4