REMARK  Name = BDB021137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.538  -0.479   0.732  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -2.905   0.172  -0.289  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -3.381   0.654  -1.297  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.486   0.222   0.055  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -1.337  -0.387   1.287  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.108  -0.493   1.907  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        1.000   0.038   1.234  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        0.853   0.651  -0.036  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -0.414   0.757  -0.632  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -2.659  -0.829   1.723  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1       -2.870  -1.413   2.768  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -7.824   0.876  -1.776  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -6.998   0.368  -1.022  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -6.771   0.896   0.222  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.223   1.790   0.369  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.660   0.673   0.994  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -5.251   1.540   1.766  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -4.976  -0.686   0.835  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -5.585  -1.569  -0.254  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -6.139  -0.799  -1.441  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        2.016   1.231  -0.763  0.00  0.00    +0.244 C 
ATOM     22  N   LIG    1        3.247   0.679  -0.493  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        3.308  -0.208  -0.013  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        1.843   2.131  -1.575  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.415   1.109  -1.227  0.00  0.00    +0.139 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.658   0.490  -0.648  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.262   1.046   0.489  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        7.397   0.456   1.048  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.934  -0.699   0.481  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.336  -1.266  -0.643  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.201  -0.677  -1.204  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   8  21
TORSDOF 4