REMARK  Name = BDB031555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.046   2.125  -0.219  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1       -1.134   1.102   0.349  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -1.321   0.662   1.795  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        0.039   2.114   0.156  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1       -1.078   3.188   0.107  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -3.322   2.325   0.462  0.00  0.00    +0.121 C 
BRANCH   6  17
ATOM      7  C   LIG    1       -8.882  -3.403  -0.029  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -7.874  -2.330   0.233  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -7.732  -1.881   1.656  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -8.406  -2.368   2.558  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -6.811  -0.897   1.910  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1       -6.728  -0.608   2.875  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1       -6.019  -0.315   0.914  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -6.150  -0.730  -0.410  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1       -5.431  -0.219  -1.429  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -4.535   0.745  -1.106  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       -4.318   1.223   0.188  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1       -5.096   0.679   1.217  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -7.118  -1.773  -0.729  0.00  0.00    +0.038 A 
ENDBRANCH   6  17
ENDBRANCH   1   6
BRANCH   4  20
ATOM     20  O   LIG    1        0.837   1.992  -1.054  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.011   1.307  -0.907  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        3.210   1.981  -1.096  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1        4.428   1.402  -0.976  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1        4.431   0.070  -0.677  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        3.278  -0.687  -0.498  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        2.044  -0.052  -0.620  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.775  -0.576  -0.537  0.00  0.00    +0.263 C 
ATOM     28  N   LIG    1        6.832   0.292  -0.737  0.00  0.00    -0.305 N 
ATOM     29  H   LIG    1        6.585   1.255  -0.950  0.00  0.00    +0.150 HD
ATOM     30  O   LIG    1        5.883  -1.766  -0.263  0.00  0.00    -0.269 OA
BRANCH  28  31
ATOM     31  C   LIG    1        8.213  -0.088  -0.640  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1        9.182   0.511  -1.637  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1        8.816  -0.939  -1.734  0.00  0.00    +0.027 C 
ATOM     34  C   LIG    1        8.713  -0.300   0.768  0.00  0.00    +0.031 C 
ENDBRANCH  28  31
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6