REMARK  Name = BDB041305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.709   0.140  -0.241  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1        0.008  -0.982  -0.739  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.387  -0.910  -0.897  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -2.031  -2.059  -1.361  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1       -1.394  -3.207  -1.685  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1       -0.054  -3.272  -1.552  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -2.051   0.294  -0.571  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -1.388   1.360  -0.080  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        0.616  -2.193  -1.088  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1       -0.047   1.266   0.068  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        4.982   0.225   0.223  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1        4.168  -0.199   1.285  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.768  -0.231   1.168  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        1.950  -0.702   2.342  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        2.166   0.162  -0.046  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        2.988   0.583  -1.107  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        4.378   0.611  -0.976  0.00  0.00    +0.005 A 
BRANCH  11  18
ATOM     18  C   LIG    1        6.486   0.243   0.376  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  N   LIG    1        7.013  -1.118   0.441  0.00  0.00    -0.312 NA
ATOM     20  H   LIG    1        6.744  -1.621  -0.404  0.00  0.00    +0.122 HD
BRANCH  19  22
ATOM     21  C   LIG    1        9.232  -0.828  -0.657  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1        8.462  -1.160   0.614  0.00  0.00    +0.078 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  11  18
ENDBRANCH   1  15
BRANCH   7  23
ATOM     23  N   LIG    1       -3.447   0.385  -0.743  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1       -3.670   0.190  -1.716  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.024   1.669  -0.348  0.00  0.00    +0.141 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.518   1.595  -0.502  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.319   0.865   0.372  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.953   0.106   1.592  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -7.266  -0.644   1.817  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.340   0.076   1.168  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.698   0.821   0.214  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.344   1.489  -0.806  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.561   2.213  -1.706  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.168   2.257  -1.550  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.452   2.961  -2.439  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   7  23
TORSDOF 7