REMARK  Name = BDB055140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.644   0.625  -1.106  0.00  0.00    +0.186 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.586   0.245  -0.111  0.00  0.00    +0.234 C 
ATOM      3  N   LIG    1        0.355  -0.255  -0.487  0.00  0.00    -0.301 N 
ATOM      4  H   LIG    1       -0.024  -1.004   0.083  0.00  0.00    +0.150 HD
ATOM      5  O   LIG    1        1.980   1.361  -0.451  0.00  0.00    -0.274 OA
BRANCH   2   7
ATOM      6  C   LIG    1        1.830  -0.795   2.173  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1        2.421  -0.703   0.771  0.00  0.00    +0.156 C 
BRANCH   7   8
ATOM      8  N   LIG    1        3.787  -0.214   0.815  0.00  0.00    -0.303 N 
ATOM      9  H   LIG    1        3.964   0.782   0.682  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1        4.874  -1.013   1.059  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        4.793  -2.221   1.262  0.00  0.00    -0.274 OA
BRANCH  10  12
ATOM     12  C   LIG    1        6.211  -0.262   1.084  0.00  0.00    +0.174 C 
BRANCH  12  13
ATOM     13  N   LIG    1        6.093   1.082   0.481  0.00  0.00    -0.322 NA
ATOM     14  H   LIG    1        5.890   0.970  -0.514  0.00  0.00    +0.119 HD
ATOM     15  H   LIG    1        7.005   1.536   0.527  0.00  0.00    +0.119 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   7   8
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -1.451   1.320  -0.001  0.00  0.00    +0.328 C 
ATOM     17  O   LIG    1       -1.409   1.026   1.188  0.00  0.00    -0.249 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -2.227   2.308  -0.525  0.00  0.00    -0.452 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.993   3.021   0.450  0.00  0.00    +0.352 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.934   3.982  -0.245  0.00  0.00    +0.343 C 
ATOM     21  O   LIG    1       -4.107   4.116  -1.445  0.00  0.00    -0.247 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -4.635   4.735   0.630  0.00  0.00    -0.478 OA
ATOM     23  H   LIG    1       -5.193   5.306   0.060  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1       -1.555  -0.129  -2.089  0.00  0.00    +0.069 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.312  -1.292  -1.489  0.00  0.00    -0.045 A 
ATOM     26  C   LIG    1       -3.575  -1.101  -0.912  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.259  -2.173  -0.337  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.690  -3.445  -0.335  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.438  -3.649  -0.913  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.753  -2.579  -1.489  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 12