REMARK  Name = BDB006631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.017   2.554   1.111  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.650   1.166   0.746  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.387   0.598   0.612  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.053   0.892   0.729  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.647  -0.443   0.400  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.372  -1.405   0.106  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1        0.245  -2.578  -0.196  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.599  -0.702   0.259  0.00  0.00    +0.137 A 
ATOM      9  N   LIG    1        2.941  -0.903   0.170  0.00  0.00    -0.209 N 
ATOM     10  N   LIG    1        3.600   0.255   0.477  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.026  -0.679   0.448  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -2.906   0.257   0.859  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.274   0.038   0.914  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.131   1.122   1.370  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.854  -1.175   0.553  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.059  -1.407   0.600  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -3.903  -2.227   0.084  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -4.498  -3.535  -0.330  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.585  -1.961   0.045  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.333   1.997  -0.272  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -0.475   3.320   0.188  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.730   4.364  -0.705  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.844   4.099  -2.067  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -1.158   5.386  -3.164  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.705   2.800  -2.545  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.450   1.754  -1.653  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1        3.698  -2.019  -0.158  0.00  0.00    +0.153 A 
ATOM     28  N   LIG    1        5.071  -2.077  -0.211  0.00  0.00    -0.250 N 
ATOM     29  C   LIG    1        6.051  -1.044   0.045  0.00  0.00    +0.174 C 
ATOM     30  N   LIG    1        5.531  -3.302  -0.559  0.00  0.00    -0.178 NA
ATOM     31  C   LIG    1        4.427  -4.026  -0.731  0.00  0.00    +0.136 A 
ATOM     32  C   LIG    1        3.259  -3.283  -0.496  0.00  0.00    +0.069 A 
ENDBRANCH   9  27
TORSDOF 3