REMARK  Name = BDB013008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.613  -0.007  -0.117  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        1.024   0.034   1.173  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.334  -0.154   1.243  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.638  -0.138   2.572  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.447   0.108   3.272  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.137  -0.346   0.114  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.593  -0.394  -1.073  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.500   0.216   2.387  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.775  -0.213  -1.157  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.451  -2.299  -0.761  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.916  -0.872  -0.706  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        3.049   0.179  -0.387  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.590   1.464  -0.327  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        4.943   1.662  -0.594  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        5.750   0.575  -0.921  0.00  0.00    +0.045 A 
ATOM     16  N   LIG    1        5.233  -0.677  -0.986  0.00  0.00    -0.256 NA
BRANCH  15  17
ATOM     17  C   LIG    1        7.216   0.768  -1.228  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        8.161   1.251  -0.151  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1        8.241  -0.168  -0.627  0.00  0.00    +0.010 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.498  -0.511   0.240  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.845  -0.893  -0.639  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.322   0.642   0.590  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.738   0.198   0.798  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.645   0.050  -0.247  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.467   0.236  -1.708  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.932   0.188  -2.146  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.699  -0.518  -1.145  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.936  -0.408  -0.012  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.384  -0.741   1.250  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.495  -0.595   2.314  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.192  -0.133   2.082  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.360  -0.015   3.127  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5