REMARK  Name = BDB035149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.413   0.121   0.714  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -0.580  -0.217  -0.718  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1       -1.999  -0.688  -1.108  0.00  0.00    +0.102 C 
ATOM      4  N   LIG    1       -3.086   0.260  -0.770  0.00  0.00    -0.278 NA
ATOM      5  C   LIG    1       -2.689   1.115   0.371  0.00  0.00    +0.102 C 
ATOM      6  C   LIG    1       -1.719   0.410   1.342  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.517   1.066  -1.931  0.00  0.00    +0.192 C 
ATOM      8  N   LIG    1       -3.889   0.183  -3.061  0.00  0.00    -0.272 NA
ATOM      9  C   LIG    1       -5.143  -0.131  -3.157  0.00  0.00    +0.121 C 
ATOM     10  C   LIG    1       -6.300   0.346  -2.293  0.00  0.00    +0.201 C 
ATOM     11  N   LIG    1       -5.945   1.422  -1.347  0.00  0.00    -0.308 N 
ATOM     12  C   LIG    1       -6.273   1.009  -0.061  0.00  0.00    +0.099 C 
ATOM     13  C   LIG    1       -6.767  -0.240  -0.059  0.00  0.00    +0.123 C 
ATOM     14  N   LIG    1       -6.803  -0.718  -1.402  0.00  0.00    -0.317 N 
ATOM     15  H   LIG    1       -6.283  -1.592  -1.468  0.00  0.00    +0.148 HD
ATOM     16  C   LIG    1       -4.676   2.097  -1.653  0.00  0.00    +0.149 C 
BRANCH  13  17
ATOM     17  C   LIG    1       -7.070  -1.070   1.162  0.00  0.00    +0.431 C 
ATOM     18  F   LIG    1       -6.422  -2.265   1.118  0.00  0.00    -0.165 F 
ATOM     19  F   LIG    1       -8.394  -1.346   1.278  0.00  0.00    -0.165 F 
ATOM     20  F   LIG    1       -6.690  -0.463   2.317  0.00  0.00    -0.165 F 
ENDBRANCH  13  17
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1        0.290  -0.927   1.469  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1        6.743  -0.384   0.807  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1        6.130   0.998   0.570  0.00  0.00    +0.221 C 
ATOM     24  O   LIG    1        6.787   2.014   0.360  0.00  0.00    -0.275 OA
ATOM     25  N   LIG    1        4.766   1.080   0.710  0.00  0.00    -0.284 N 
ATOM     26  H   LIG    1        4.371   2.012   0.696  0.00  0.00    +0.155 HD
ATOM     27  C   LIG    1        3.929  -0.035   0.796  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        4.434  -1.314   0.573  0.00  0.00    +0.063 A 
ATOM     29  N   LIG    1        3.673  -2.431   0.632  0.00  0.00    -0.258 NA
ATOM     30  C   LIG    1        2.362  -2.259   0.921  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1        1.758  -1.021   1.134  0.00  0.00    -0.014 A 
ATOM     32  C   LIG    1        2.576   0.114   1.073  0.00  0.00    +0.031 A 
ATOM     33  C   LIG    1        5.870  -1.455   0.146  0.00  0.00    +0.070 C 
BRANCH  22  35
ATOM     34  C   LIG    1        9.196   0.178   1.229  0.00  0.00    +0.004 C 
ATOM     35  C   LIG    1        8.189  -0.482   0.294  0.00  0.00    +0.010 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 5