REMARK  Name = BDB047823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.384  -0.397  -0.011  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -0.608   0.997  -0.091  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.915   1.458  -0.282  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.978   0.556  -0.384  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.768  -0.830  -0.297  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -1.453  -1.290  -0.108  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        0.503   1.869   0.018  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        0.455   2.708   1.238  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        1.516   3.829   1.165  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        1.370   4.746   0.013  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        0.806   6.034   0.407  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        0.571   4.136  -1.073  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        0.798   2.616  -1.232  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   5  14
ATOM     14  C   LIG    1       -3.894  -1.776  -0.407  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -3.839  -2.864  -1.297  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -4.902  -3.767  -1.408  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1       -6.042  -3.587  -0.618  0.00  0.00    +0.126 A 
ATOM     18  C   LIG    1       -6.122  -2.515   0.277  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1       -5.051  -1.619   0.377  0.00  0.00    +0.011 A 
BRANCH  17  20
ATOM     20  N   LIG    1       -7.162  -4.529  -0.729  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1       -7.056  -5.461  -1.539  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1       -8.152  -4.335  -0.007  0.00  0.00    -0.126 OA
ENDBRANCH  17  20
ENDBRANCH   5  14
BRANCH   1  24
ATOM     23  C   LIG    1        1.484  -2.054   0.245  0.00  0.00    +0.250 C 
ATOM     24  N   LIG    1        0.960  -0.786   0.163  0.00  0.00    -0.280 N 
ATOM     25  H   LIG    1        1.585   0.018   0.188  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        0.865  -3.111   0.225  0.00  0.00    -0.270 OA
BRANCH  23  31
ATOM     27  C   LIG    1        6.315  -0.786  -0.829  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        5.269  -1.517  -0.034  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        3.893  -1.409  -0.321  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1        3.391  -0.438  -1.669  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        2.954  -2.115   0.455  0.00  0.00    +0.056 A 
ATOM     32  C   LIG    1        3.392  -2.955   1.492  0.00  0.00    +0.017 A 
ATOM     33  C   LIG    1        4.749  -3.070   1.774  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        5.669  -2.352   1.017  0.00  0.00    +0.128 A 
ATOM     35  F   LIG    1        6.971  -2.481   1.312  0.00  0.00    -0.205 F 
ENDBRANCH  23  31
ENDBRANCH   1  24
TORSDOF 5