REMARK  Name = BDB009035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.215   0.367  -1.722  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.728  -0.655  -1.541  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.977  -0.618  -2.183  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.263   0.449  -3.042  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.331   1.468  -3.228  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.100   1.430  -2.568  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.579   2.181  -1.649  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        2.507   1.123  -1.035  0.00  0.00    +0.218 C 
ATOM      9  N   LIG    1        1.435   0.245  -1.025  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        1.534  -0.586  -0.455  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.635   0.627  -0.146  0.00  0.00    +0.101 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.865   1.528  -0.231  0.00  0.00    +0.046 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.971   1.056   0.687  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        6.883   0.050   0.329  0.00  0.00    +0.044 A 
ATOM     15 CL   LIG    1        6.826  -0.731  -1.212  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        7.877  -0.360   1.224  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.970   0.223   2.486  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        7.069   1.218   2.857  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.076   1.629   1.966  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -2.981  -1.729  -1.984  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.270  -2.030  -0.515  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.118  -1.089   0.283  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.734   0.128  -0.350  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.827   0.770   0.511  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.397   0.855   1.970  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.088  -0.534   2.531  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.297  -1.391   1.581  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.694  -2.623   2.149  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -3.850  -2.938   3.324  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.959  -3.385   1.282  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -2.544  -4.234   1.650  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.731  -3.109  -0.029  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6