REMARK  Name = BDB031098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.589  -1.900   1.492  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.297  -1.266   0.687  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -1.239  -2.007   0.071  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -1.274  -3.395   0.199  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.353  -4.035   1.023  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.591  -3.273   1.695  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        3.175   1.394  -0.108  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        2.362   0.377   0.242  0.00  0.00    +0.102 A 
ATOM      9  N   LIG    1        2.283  -0.030   1.578  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        3.045   0.555   2.589  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        2.843  -0.027   3.751  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        1.917  -1.004   3.502  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        3.899   1.633   2.227  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        1.536  -1.033   2.172  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        3.963   2.037   0.944  0.00  0.00    +0.014 A 
BRANCH   7  17
ATOM     16  F   LIG    1        3.043   3.236  -1.576  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        3.318   1.906  -1.512  0.00  0.00    +0.373 C 
ATOM     18  F   LIG    1        4.597   1.761  -1.952  0.00  0.00    -0.204 F 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  19
ATOM     19  N   LIG    1       -2.198  -1.404  -0.770  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -3.105  -1.785  -0.505  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.217   0.072  -0.738  0.00  0.00    +0.095 C 
ATOM     22  C   LIG    1       -3.442   0.579  -1.513  0.00  0.00    +0.090 C 
ATOM     23  C   LIG    1       -2.888   0.938  -2.880  0.00  0.00    +0.092 C 
ATOM     24  N   LIG    1       -1.591   1.536  -2.567  0.00  0.00    -0.314 NA
ATOM     25  H   LIG    1       -0.989   1.534  -3.391  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -1.025   0.674  -1.517  0.00  0.00    +0.103 C 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.034   1.800  -0.834  0.00  0.00    +0.347 C 
ATOM     28  F   LIG    1       -4.508   1.440   0.390  0.00  0.00    -0.209 F 
ATOM     29  F   LIG    1       -5.116   2.225  -1.539  0.00  0.00    -0.209 F 
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 5