REMARK  Name = BDB059441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.673   0.067   0.016  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -3.953   0.817   0.963  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -2.553   0.787   0.954  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -1.842   0.016   0.014  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.368   0.001   0.026  0.00  0.00    +0.050 A 
ATOM      6  N   LIG    1        0.261  -1.208  -0.006  0.00  0.00    -0.346 N 
ATOM      7  C   LIG    1       -0.505  -2.480   0.050  0.00  0.00    +0.122 C 
ATOM      8  C   LIG    1       -1.147  -2.780  -1.300  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1       -1.861  -1.592  -1.949  0.00  0.00    +0.037 C 
ATOM     10  C   LIG    1        1.614  -1.278  -0.049  0.00  0.00    +0.098 A 
ATOM     11  C   LIG    1        2.424  -0.137  -0.057  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        1.790   1.115  -0.022  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1        2.566   2.279  -0.041  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.960   2.205  -0.112  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        4.612   0.970  -0.156  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        3.841  -0.207  -0.097  0.00  0.00    +0.171 A 
ATOM     17  C   LIG    1        0.395   1.175   0.020  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -2.578  -0.735  -0.932  0.00  0.00    -0.035 A 
ATOM     19  C   LIG    1       -3.982  -0.704  -0.923  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1       -6.812  -0.491  -0.908  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -6.039   0.146   0.100  0.00  0.00    -0.491 OA
ENDBRANCH   1  21
BRANCH   2  22
ATOM     22  O   LIG    1       -4.706   1.535   1.856  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -4.041   2.406   2.759  0.00  0.00    +0.277 C 
ENDBRANCH   2  22
BRANCH  15  24
ATOM     24  O   LIG    1        5.967   0.837  -0.283  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        6.754   2.015  -0.427  0.00  0.00    +0.277 C 
ENDBRANCH  15  24
BRANCH  16  26
ATOM     26  O   LIG    1        4.341  -1.492  -0.130  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        5.595  -1.712   0.514  0.00  0.00    +0.277 C 
ENDBRANCH  16  26
TORSDOF 4