REMARK  Name = BDB061163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.281   0.029  -1.635  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        0.337   1.042  -0.888  0.00  0.00    -0.251 N 
ATOM      3  C   LIG    1        1.335   0.805   0.028  0.00  0.00    +0.208 A 
ATOM      4  N   LIG    1        1.653   1.937   0.621  0.00  0.00    -0.126 NA
ATOM      5  N   LIG    1        0.909   2.943   0.040  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        1.765  -0.538   0.136  0.00  0.00    +0.191 A 
ATOM      7  C   LIG    1        1.145  -1.462  -0.619  0.00  0.00    +0.164 A 
ATOM      8  C   LIG    1        0.156   2.394  -0.885  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.136  -1.206  -1.527  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.317   0.315  -2.499  0.00  0.00    -0.310 N 
ATOM     11  H   LIG    1       -1.489  -0.522  -3.059  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -2.606   0.791  -2.000  0.00  0.00    +0.143 C 
BRANCH  12  15
ATOM     13  F   LIG    1       -3.966  -1.354  -3.201  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -3.973  -1.315  -1.860  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1       -3.318  -0.263  -1.202  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -3.348  -0.278   0.189  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -2.706   0.619   1.182  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -3.438   0.164   2.444  0.00  0.00    +0.234 C 
ATOM     19  O   LIG    1       -3.932  -1.179   2.240  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1       -4.000  -1.296   0.876  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1       -4.638  -2.336   0.230  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -4.625  -2.340  -1.164  0.00  0.00    +0.042 A 
ENDBRANCH  12  15
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   6  23
ATOM     23  O   LIG    1        2.732  -0.870   1.066  0.00  0.00    -0.451 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.973  -0.286   0.951  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        4.635  -0.137  -0.271  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        5.911   0.428  -0.302  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.528   0.831   0.883  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.873   0.664   2.103  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.598   0.099   2.138  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5