REMARK  Name = BDB050640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.568  -1.183   0.215  0.00  0.00    +0.282 C 
ATOM      2  N   LIG    1       -1.195  -1.508   0.369  0.00  0.00    -0.291 N 
ATOM      3  O   LIG    1       -3.419  -2.038   0.478  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  12
ATOM      4  N   LIG    1       -4.279   0.665  -0.161  0.00  0.00    -0.320 N 
ATOM      5  C   LIG    1       -4.277   1.949  -0.664  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1       -2.965   2.155  -1.063  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1       -2.597   3.378  -1.643  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -3.572   4.370  -1.800  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -4.886   4.146  -1.386  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1       -2.197   1.054  -0.803  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1       -5.268   2.929  -0.809  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -2.989   0.156  -0.235  0.00  0.00    +0.198 A 
BRANCH   4  14
ATOM     13  C   LIG    1       -5.530   0.047   1.879  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1       -5.454  -0.010   0.363  0.00  0.00    +0.120 C 
ENDBRANCH   4  14
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  C   LIG    1       -0.079  -0.565   0.083  0.00  0.00    +0.091 C 
ATOM     16  C   LIG    1        1.228  -0.830   0.864  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        2.345   0.067   0.306  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1        2.634  -0.326  -1.155  0.00  0.00    +0.093 C 
ATOM     19  N   LIG    1        1.504  -0.948  -1.855  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1        1.617  -0.853  -2.864  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        0.212  -0.392  -1.439  0.00  0.00    +0.103 C 
BRANCH  17  22
ATOM     22  C   LIG    1        3.615  -0.045   1.150  0.00  0.00    +0.220 C 
ATOM     23  N   LIG    1        4.581   0.948   1.029  0.00  0.00    -0.297 N 
ATOM     24  C   LIG    1        5.882   0.714   1.669  0.00  0.00    +0.136 C 
ATOM     25  C   LIG    1        6.558   2.020   2.089  0.00  0.00    +0.179 C 
ATOM     26  O   LIG    1        6.642   2.936   0.988  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        5.330   3.261   0.514  0.00  0.00    +0.179 C 
ATOM     28  C   LIG    1        4.593   2.012   0.019  0.00  0.00    +0.136 C 
ATOM     29  O   LIG    1        3.773  -0.998   1.917  0.00  0.00    -0.275 OA
ENDBRANCH  17  22
ENDBRANCH   2  15
BRANCH   2  30
ATOM     30  C   LIG    1       -0.883  -2.903   0.726  0.00  0.00    +0.111 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -0.408  -3.771  -0.454  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        0.063  -5.132   0.064  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -1.504  -3.969  -1.502  0.00  0.00    +0.009 C 
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 6