REMARK  Name = BDB049095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.108  -0.719  -0.140  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1        1.366  -1.840   0.900  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1        2.876  -1.681   1.238  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        3.343  -0.504   0.490  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        2.163   0.326   0.250  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -2.929   0.580  -2.862  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -2.253   0.483  -1.524  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1       -2.880   0.929  -0.352  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -2.227   0.874   0.882  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.940   0.342   0.962  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -0.293  -0.137  -0.187  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1       -0.959  -0.052  -1.424  0.00  0.00    +0.008 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.245   1.492  -0.385  0.00  0.00    +0.247 C 
ATOM     14  N   LIG    1       -5.292   0.614  -0.198  0.00  0.00    -0.298 N 
ATOM     15  C   LIG    1       -5.209  -0.820   0.037  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1       -6.628  -1.218   0.423  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -7.484  -0.215  -0.341  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -6.669   1.067  -0.249  0.00  0.00    +0.108 C 
ATOM     19  O   LIG    1       -4.382   2.696  -0.574  0.00  0.00    -0.270 OA
ENDBRANCH   8  13
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  N   LIG    1        0.965  -3.230   0.594  0.00  0.00    -0.304 NA
ATOM     21  C   LIG    1        1.478  -3.728  -0.684  0.00  0.00    +0.104 C 
ATOM     22  C   LIG    1       -0.484  -3.414   0.654  0.00  0.00    +0.104 C 
ENDBRANCH   2  20
BRANCH   4  23
ATOM     23  C   LIG    1        4.453   0.183   1.153  0.00  0.00    +0.122 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.127   1.211   0.268  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.940   0.754  -0.782  0.00  0.00    +0.128 A 
ATOM     26  F   LIG    1        6.131  -0.562  -0.960  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        6.581   1.633  -1.650  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        6.422   3.002  -1.481  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        5.627   3.484  -0.441  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        4.975   2.604   0.445  0.00  0.00    -0.043 A 
ATOM     31  C   LIG    1        4.146   3.187   1.556  0.00  0.00    +0.044 C 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5