REMARK  Name = BDB011211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.322   0.891   0.874  0.00  0.00    +0.055 A 
ATOM      2  N   LIG    1       -1.524  -0.249   0.684  0.00  0.00    -0.339 N 
ATOM      3  C   LIG    1       -0.224   0.165   0.718  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        1.131  -0.443   0.631  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1        1.963   0.779   0.855  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1        1.191   1.936   1.099  0.00  0.00    +0.253 C 
ATOM      7  O   LIG    1        1.534   3.065   1.406  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.175   1.503   0.982  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -1.478   1.982   1.078  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.383   0.726   0.940  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.224   1.724   0.399  0.00  0.00    -0.029 A 
ATOM     12  C   LIG    1        3.736   2.891  -0.420  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        5.620   1.623   0.575  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        6.188   0.530   1.224  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.364  -0.473   1.708  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1        6.051  -1.838   2.501  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        3.978  -0.382   1.569  0.00  0.00    +0.043 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.453  -1.098  -0.701  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1        1.250  -0.427  -1.921  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        1.571  -1.038  -3.135  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.107  -2.323  -3.141  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        2.502  -3.078  -4.636  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        2.325  -3.002  -1.945  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        2.002  -2.391  -0.730  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1       -4.580   0.689  -0.227  0.00  0.00    +0.132 A 
ATOM     26  C   LIG    1       -3.787   0.895   0.906  0.00  0.00    +0.058 A 
ATOM     27  C   LIG    1       -4.460   1.125   2.102  0.00  0.00    +0.124 A 
ATOM     28  N   LIG    1       -5.810   1.129   2.236  0.00  0.00    -0.262 NA
ATOM     29  C   LIG    1       -6.531   0.893   1.119  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1       -5.969   0.664  -0.123  0.00  0.00    +0.066 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -3.818   1.659  -2.163  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -4.024   0.436  -1.454  0.00  0.00    -0.494 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1       -2.031  -1.620   0.576  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -1.915  -2.191  -0.835  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1       -1.420  -2.562   1.615  0.00  0.00    +0.030 C 
ENDBRANCH   2  33
TORSDOF 5