REMARK  Name = BDB013011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.209  -0.776  -0.175  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.595  -1.139   1.050  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.778  -1.129   1.090  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.107  -1.480   2.367  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.014  -1.712   3.060  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.580  -0.793  -0.010  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.002  -0.448  -1.131  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.062  -1.500   2.227  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.377  -0.445  -1.186  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.021   1.268   1.123  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.514   0.212   0.176  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        2.661  -0.721  -0.401  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        3.280  -1.630  -1.243  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1        4.599  -1.638  -1.519  0.00  0.00    -0.203 NA
ATOM     15  C   LIG    1        5.330  -0.699  -0.907  0.00  0.00    +0.318 A 
ATOM     16  N   LIG    1        4.846   0.232  -0.076  0.00  0.00    -0.200 NA
BRANCH  15  17
ATOM     17  O   LIG    1        6.666  -0.729  -1.222  0.00  0.00    -0.460 OA
BRANCH  17  18
ATOM     18  C   LIG    1        7.571   0.100  -0.488  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        7.422   1.589  -0.793  0.00  0.00    +0.052 C 
ATOM     20  C   LIG    1        7.636  -0.220   1.005  0.00  0.00    +0.052 C 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.952  -0.828   0.126  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.336  -1.445   0.835  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.820  -0.710  -1.034  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.236  -0.517  -0.575  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.713   0.712  -0.129  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.042   2.033  -0.070  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.060   2.791   0.781  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.345   2.135   0.677  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.029   0.860   0.289  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.925  -0.190   0.289  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -7.464  -1.437  -0.135  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -6.136  -1.590  -0.555  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.725  -2.806  -0.943  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6