REMARK  Name = BDB023080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.873   1.378   0.285  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1        0.395   1.182  -1.153  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -0.780   0.207  -1.024  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1       -1.522   0.707   0.224  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1       -0.374   1.154   1.165  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        6.527  -0.890   0.883  0.00  0.00    -0.169 NA
ATOM      7  C   LIG    1        5.609   0.004   0.652  0.00  0.00    +0.182 A 
ATOM      8  C   LIG    1        4.154  -0.176   0.752  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        3.287  -1.229   1.141  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.985  -0.783   0.998  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        2.018   0.526   0.577  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1        3.329   0.874   0.415  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1        3.820   2.053  -0.006  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        3.253   2.853  -0.263  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        5.188   2.168  -0.046  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        6.059   1.257   0.250  0.00  0.00    -0.216 NA
BRANCH   6  17
ATOM     17  N   LIG    1        6.172  -2.155   1.217  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        7.016  -2.677   1.465  0.00  0.00    +0.164 HD
ATOM     19  H   LIG    1        5.791  -2.637   0.400  0.00  0.00    +0.164 HD
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1       -0.065   2.436  -1.680  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -0.794   2.211  -2.295  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -1.581   0.289  -2.199  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -1.157  -0.271  -2.877  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -2.430  -0.331   0.917  0.00  0.00    +0.150 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.816  -0.612   0.355  0.00  0.00    -0.019 A 
ATOM     26  C   LIG    1       -4.628  -1.552   1.024  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -5.918  -1.849   0.576  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -6.422  -1.200  -0.546  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -8.008  -1.559  -1.105  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -5.649  -0.255  -1.212  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -4.357   0.041  -0.760  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1       -1.696  -1.555   1.041  0.00  0.00    -0.387 OA
ATOM     33  H   LIG    1       -2.179  -2.247   0.555  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 7