REMARK  Name = BDB053441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.856  -2.623   0.056  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -2.538  -2.037   0.048  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1       -2.178  -0.789  -0.359  0.00  0.00    +0.190 C 
ATOM      4  N   LIG    1       -0.903  -0.544  -0.286  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -0.343  -1.702   0.201  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        0.946  -1.969   0.446  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.412  -2.712   0.425  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1       -1.288  -3.849   0.840  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.086  -1.060   0.252  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        1.998   0.323   0.476  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        3.133   1.088   0.305  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        3.217   2.435   0.478  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        4.604   2.664   0.160  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        5.324   1.459  -0.176  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        4.335   0.533  -0.066  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.469  -0.819  -0.282  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.333  -1.620  -0.115  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   3  18
ATOM     18  N   LIG    1       -3.111   0.102  -0.795  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -4.083  -0.092  -0.599  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.792   1.491  -1.080  0.00  0.00    +0.132 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.592   2.306   0.201  0.00  0.00    +0.174 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.591   3.704  -0.077  0.00  0.00    -0.393 OA
ATOM     23  H   LIG    1       -3.487   3.954  -0.359  0.00  0.00    +0.209 HD
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5