REMARK  Name = BDB064549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.119   0.272   0.904  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        4.245  -1.031   0.387  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        3.125  -1.671  -0.157  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        1.875  -1.026  -0.193  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.751   0.270   0.322  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        0.501   0.889   0.279  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.611   0.231  -0.268  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -1.929   0.871  -0.301  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.011   0.366   0.476  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -4.255   1.020   0.476  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1       -4.388   2.164  -0.280  0.00  0.00    +0.168 A 
ATOM     12  O   LIG    1       -5.514   2.915  -0.394  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -5.060   3.964  -1.278  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -3.687   3.792  -1.698  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -3.349   2.661  -1.025  0.00  0.00    +0.167 A 
ATOM     16  N   LIG    1       -2.864  -0.865   1.175  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -3.411  -0.792   2.042  0.00  0.00    +0.146 HD
ATOM     18  C   LIG    1       -3.387  -1.997   0.401  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -2.272  -2.682  -0.383  0.00  0.00    +0.040 C 
ATOM     20  C   LIG    1       -1.597  -1.772  -1.401  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1       -2.116   2.047  -1.056  0.00  0.00    +0.061 A 
ATOM     22  N   LIG    1       -0.468  -1.026  -0.773  0.00  0.00    -0.346 N 
ATOM     23  C   LIG    1        0.742  -1.642  -0.731  0.00  0.00    +0.094 A 
ATOM     24  C   LIG    1        2.875   0.912   0.869  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  26
ATOM     25  C   LIG    1        5.189   2.131   1.974  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        5.263   0.826   1.417  0.00  0.00    -0.491 OA
ENDBRANCH   1  26
BRANCH   2  27
ATOM     27  O   LIG    1        5.496  -1.585   0.458  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.684  -2.905  -0.030  0.00  0.00    +0.277 C 
ENDBRANCH   2  27
TORSDOF 2