REMARK  Name = BDB047824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.428  -0.396  -0.058  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -0.660   0.974   0.204  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.956   1.478   0.060  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.002   0.640  -0.338  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.784  -0.722  -0.601  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -1.479  -1.226  -0.454  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        0.438   1.786   0.585  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        0.844   2.705  -0.506  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        1.881   3.726   0.012  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        1.413   4.570   1.135  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        1.128   5.936   0.707  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        0.235   3.978   1.808  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        0.289   2.437   1.910  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   5  14
ATOM     14  C   LIG    1       -3.891  -1.599  -1.025  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -3.777  -2.413  -2.162  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -4.829  -3.243  -2.567  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -6.007  -3.316  -1.823  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -6.153  -2.468  -0.726  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -5.103  -1.636  -0.319  0.00  0.00    +0.010 A 
BRANCH  17  20
ATOM     20  N   LIG    1       -7.096  -4.057  -2.295  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -6.828  -4.852  -2.868  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -7.759  -4.313  -1.570  0.00  0.00    +0.142 HD
ENDBRANCH  17  20
ENDBRANCH   5  14
BRANCH   1  24
ATOM     23  C   LIG    1        1.430  -2.085  -0.071  0.00  0.00    +0.250 C 
ATOM     24  N   LIG    1        0.902  -0.833   0.126  0.00  0.00    -0.280 N 
ATOM     25  H   LIG    1        1.507  -0.074   0.435  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        0.836  -3.085  -0.458  0.00  0.00    -0.270 OA
BRANCH  23  31
ATOM     27  C   LIG    1        6.345  -0.677  -0.069  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        5.212  -1.580   0.333  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        3.886  -1.361  -0.097  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1        3.562  -0.034  -1.167  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        2.860  -2.236   0.308  0.00  0.00    +0.056 A 
ATOM     32  C   LIG    1        3.165  -3.346   1.113  0.00  0.00    +0.017 A 
ATOM     33  C   LIG    1        4.473  -3.570   1.533  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        5.476  -2.689   1.146  0.00  0.00    +0.128 A 
ATOM     35  F   LIG    1        6.727  -2.928   1.566  0.00  0.00    -0.205 F 
ENDBRANCH  23  31
ENDBRANCH   1  24
TORSDOF 5