REMARK  Name = BDB041299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.903   0.194   0.238  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1        0.314  -1.058   0.530  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.082  -1.146   0.675  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.614  -2.413   0.931  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1       -0.870  -3.532   1.070  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1        0.470  -3.448   0.949  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -1.860   0.026   0.540  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -1.302   1.216   0.239  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        1.034  -2.248   0.682  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1        0.041   1.276   0.101  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        5.137   0.737  -0.251  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.303   0.543  -1.354  0.00  0.00    +0.128 A 
ATOM     13  F   LIG    1        4.820   0.523  -2.591  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        2.929   0.367  -1.205  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        2.347   0.386   0.070  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.176   0.595   1.183  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        4.554   0.771   1.024  0.00  0.00    +0.008 A 
BRANCH  11  18
ATOM     18  C   LIG    1        6.622   0.948  -0.437  0.00  0.00    +0.121 C 
BRANCH  18  20
ATOM     19  C   LIG    1        7.394  -1.311   0.002  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        7.449   0.090   0.433  0.00  0.00    -0.304 NA
ATOM     21  C   LIG    1        8.838   0.555   0.417  0.00  0.00    +0.104 C 
ENDBRANCH  18  20
ENDBRANCH  11  18
ENDBRANCH   1  15
BRANCH   7  22
ATOM     22  N   LIG    1       -3.258  -0.045   0.700  0.00  0.00    -0.324 N 
ATOM     23  H   LIG    1       -3.464  -0.421   1.623  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.958   1.224   0.511  0.00  0.00    +0.141 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.438   0.987   0.630  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -6.149   0.239  -0.305  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.668  -0.497  -1.500  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.013  -0.795  -2.162  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -8.055  -0.751  -1.159  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.513   0.019  -0.163  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -8.232   0.522   0.902  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.545   1.282   1.848  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -6.168   1.508   1.706  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.543   2.233   2.645  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 6