REMARK  Name = BDB029688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.068  -3.896   0.397  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.513  -3.354  -0.851  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -0.210  -1.992  -0.717  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -1.271  -2.048   0.304  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -1.098  -3.046   1.377  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.401  -3.365   1.595  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.361  -1.196   0.280  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -2.372  -0.018  -0.473  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1       -3.483   0.827  -0.477  0.00  0.00    +0.156 A 
ATOM     10  F   LIG    1       -3.429   1.946  -1.217  0.00  0.00    -0.203 F 
ATOM     11  C   LIG    1       -4.599   0.496   0.276  0.00  0.00    +0.160 A 
ATOM     12  N   LIG    1       -4.638  -0.638   1.021  0.00  0.00    -0.246 NA
ATOM     13  C   LIG    1       -3.539  -1.435   0.999  0.00  0.00    +0.134 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -5.835   1.358   0.324  0.00  0.00    +0.265 C 
ATOM     15  N   LIG    1       -5.809   2.541  -0.410  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1       -4.964   2.751  -0.934  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -6.800   0.996   0.994  0.00  0.00    -0.268 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -6.858   3.513  -0.511  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1       -8.315   3.153  -0.570  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       -7.765   3.875   0.630  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1        2.528  -3.952   0.478  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1        5.660   1.694  -0.439  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        5.404   1.076  -1.781  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1        5.758   1.616  -2.824  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1        4.749  -0.129  -1.800  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1        4.590  -0.530  -2.714  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        4.331  -0.791  -0.640  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        4.579  -0.227   0.609  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1        4.217  -0.802   1.774  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1        3.572  -1.988   1.681  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1        3.260  -2.632   0.482  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1        3.667  -2.010  -0.706  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1        5.272   1.054   0.679  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1        5.480   4.180  -0.764  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        6.388   3.010  -0.413  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6