REMARK  Name = BDB006608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.305   1.561  -2.447  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.946   0.421  -1.573  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.689   0.052  -1.079  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.254   0.397  -1.081  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.310  -0.706  -0.228  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.722  -1.582   0.237  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.640  -2.571   0.945  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.908  -1.060  -0.327  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -3.224  -1.319  -0.359  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -3.895  -0.432  -1.134  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.677  -0.864   0.018  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.181  -1.814   0.829  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        3.539  -1.956   1.071  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        3.968  -3.018   1.971  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.495  -1.125   0.500  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        5.704  -1.216   0.697  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        3.963  -0.065  -0.410  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        4.971   0.840  -1.046  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        2.639   0.028  -0.618  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.167   1.791  -0.490  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -0.009   2.893  -1.351  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.070   4.193  -0.843  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.010   4.407   0.530  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.088   6.006   1.153  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.169   3.332   1.401  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.249   2.032   0.894  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1       -3.887  -2.444   0.325  0.00  0.00    +0.108 C 
ATOM     28  C   LIG    1       -5.213  -2.288   1.031  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1       -3.968  -2.529   1.831  0.00  0.00    +0.029 C 
ENDBRANCH   9  27
TORSDOF 3