REMARK  Name = BDB042453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.759  -1.840  -0.088  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.054  -1.111   0.973  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.310  -0.647   0.598  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        1.746  -0.519  -0.801  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.277  -0.519  -0.956  0.00  0.00    +0.125 C 
ATOM      6  N   LIG    1        3.888   0.485  -0.058  0.00  0.00    -0.312 N 
ATOM      7  C   LIG    1        3.536   0.240   1.359  0.00  0.00    +0.125 C 
ATOM      8  C   LIG    1        2.008   0.237   1.541  0.00  0.00    +0.126 C 
ATOM      9  O   LIG    1       -0.380  -0.961   2.117  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.277   0.613  -0.252  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        5.935  -0.272  -1.034  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        7.270  -0.111  -1.214  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1        8.008   0.916  -0.653  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        7.331   1.836   0.138  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        5.957   1.684   0.335  0.00  0.00    +0.045 A 
BRANCH  13  16
ATOM     16  C   LIG    1        9.411   1.020  -0.891  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1       10.552   1.103  -1.084  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -2.131  -2.306   0.414  0.00  0.00    +0.062 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -6.553  -0.878  -2.227  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.282   0.104  -1.120  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -5.174  -0.020  -0.253  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1       -4.988   0.941   0.763  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -3.826   0.819   1.679  0.00  0.00    +0.257 A 
ATOM     24  N   LIG    1       -2.995  -0.255   1.466  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -2.196  -0.330   2.101  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -3.155  -1.195   0.476  0.00  0.00    +0.020 A 
ATOM     27  O   LIG    1       -3.625   1.638   2.569  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -5.875   2.007   0.926  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1       -6.956   2.115   0.068  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -7.816   3.132   0.211  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.198  -1.116  -0.366  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -7.166   1.182  -0.944  0.00  0.00    +0.042 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 5