REMARK  Name = BDB060089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.586  -0.604  -0.690  0.00  0.00    +0.166 A 
ATOM      2  C   LIG    1        1.428   0.115  -1.008  0.00  0.00    +0.191 A 
ATOM      3  F   LIG    1        1.421   0.981  -2.031  0.00  0.00    -0.199 F 
ATOM      4  C   LIG    1        0.289  -0.086  -0.227  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1        0.275  -0.988   0.830  0.00  0.00    +0.092 A 
ATOM      6  N   LIG    1       -0.955  -1.013   1.432  0.00  0.00    -0.229 NA
ATOM      7  C   LIG    1       -1.709  -0.162   0.759  0.00  0.00    +0.148 A 
ATOM      8  C   LIG    1        1.433  -1.723   1.133  0.00  0.00    +0.033 A 
ATOM      9  N   LIG    1       -0.979   0.444  -0.244  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -1.454   1.444  -1.170  0.00  0.00    +0.151 C 
ATOM     11  C   LIG    1        2.586  -1.528   0.359  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1        3.686  -0.408  -1.498  0.00  0.00    -0.451 OA
BRANCH  12  18
ATOM     13  C   LIG    1        8.761   0.154   0.841  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1        7.391   0.030   0.244  0.00  0.00    +0.039 A 
ATOM     15  N   LIG    1        7.223  -0.886  -0.739  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        5.989  -1.009  -1.295  0.00  0.00    +0.081 A 
ATOM     17  C   LIG    1        5.843  -2.022  -2.391  0.00  0.00    +0.069 C 
ATOM     18  C   LIG    1        4.900  -0.248  -0.873  0.00  0.00    +0.149 A 
ATOM     19  C   LIG    1        5.095   0.706   0.124  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        6.356   0.843   0.697  0.00  0.00    +0.026 A 
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   7  21
ATOM     21  C   LIG    1       -3.149   0.131   1.045  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.874  -0.102  -0.163  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -5.224   0.112  -0.131  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -5.960   0.560   0.967  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1       -7.348   0.741   0.857  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -7.997   0.471  -0.354  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -7.262   0.022  -1.449  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.883  -0.155  -1.335  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -8.084   1.224   2.050  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -7.586   1.506   3.124  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -9.408   1.332   1.842  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -9.758   1.650   2.701  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 7