REMARK  Name = BDB013091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.676  -1.144  -0.551  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.084   0.103  -0.898  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.239   0.278  -0.576  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.541   1.556  -0.945  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.495   2.116  -1.509  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.014  -0.706   0.042  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.466  -1.839   0.389  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.532   1.197  -1.482  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.129  -2.023   0.088  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.463  -0.887  -0.726  0.00  0.00    -0.046 A 
ATOM     11  C   LIG    1        3.112  -0.579  -0.497  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.095  -1.500  -0.793  0.00  0.00    -0.013 A 
ATOM     13  C   LIG    1        2.455  -2.741  -1.341  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        3.796  -3.060  -1.565  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.795  -2.139  -1.255  0.00  0.00    +0.004 A 
BRANCH  10  16
ATOM     16  C   LIG    1        5.542   0.114  -0.385  0.00  0.00    +0.050 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.016  -0.040   1.072  0.00  0.00    +0.088 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.620   2.279   1.540  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        7.062   0.887   1.537  0.00  0.00    -0.308 NA
ATOM     20  C   LIG    1        8.316   0.737   0.805  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -3.348  -0.490   0.314  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.650  -1.224   0.956  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.300  -0.453  -0.792  0.00  0.00    +0.140 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.700  -0.399  -0.245  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1       -6.234   0.763   0.303  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.655   2.123   0.418  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.673   2.749   1.371  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.915   2.016   1.281  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.532   0.792   0.796  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -8.351  -0.317   0.775  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -7.831  -1.500   0.252  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.518  -1.543  -0.249  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 7