REMARK  Name = BDB034605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.450   0.680   0.955  0.00  0.00    -0.042 A 
ATOM      2  C   LIG    1        0.168   0.224   0.600  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.914   1.108   0.476  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -0.705   2.466   0.710  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.563   2.935   1.062  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.634   2.050   1.182  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.155   0.554   0.118  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1       -2.198  -0.452  -0.025  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -3.366   1.192  -0.070  0.00  0.00    +0.284 C 
ATOM     10  O   LIG    1       -3.572   2.396   0.043  0.00  0.00    -0.267 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -4.417   0.243  -0.433  0.00  0.00    +0.197 A 
ATOM     12  N   LIG    1       -5.738   0.529  -0.684  0.00  0.00    -0.329 N 
ATOM     13  C   LIG    1       -6.353   1.834  -0.634  0.00  0.00    +0.150 C 
ATOM     14  C   LIG    1       -6.378  -0.641  -0.989  0.00  0.00    +0.119 A 
ATOM     15  C   LIG    1       -5.415  -1.633  -0.916  0.00  0.00    +0.162 A 
ATOM     16  N   LIG    1       -4.196  -1.059  -0.568  0.00  0.00    -0.219 NA
BRANCH  15  17
ATOM     17  C   LIG    1       -5.571  -3.108  -1.159  0.00  0.00    +0.436 C 
ATOM     18  F   LIG    1       -5.249  -3.845  -0.064  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1       -4.788  -3.546  -2.179  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1       -6.852  -3.437  -1.484  0.00  0.00    -0.164 F 
ENDBRANCH  15  17
ENDBRANCH   9  11
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1        3.262  -0.246   2.445  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        2.600  -0.316   1.062  0.00  0.00    +0.023 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.608  -0.081  -0.082  0.00  0.00    +0.084 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.603  -1.185  -0.233  0.00  0.00    +0.134 A 
ATOM     25  N   LIG    1        5.805  -1.061  -0.882  0.00  0.00    -0.320 N 
ATOM     26  C   LIG    1        6.335   0.110  -1.526  0.00  0.00    +0.151 C 
ATOM     27  C   LIG    1        6.405  -2.279  -0.811  0.00  0.00    +0.224 A 
ATOM     28  N   LIG    1        5.624  -3.113  -0.167  0.00  0.00    -0.138 NA
ATOM     29  N   LIG    1        4.487  -2.428   0.189  0.00  0.00    -0.135 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6