REMARK  Name = BDB006099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.716  -1.200   1.515  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -8.048   1.086   0.765  0.00  0.00    -0.266 OA
ATOM      3  C   LIG    1       -6.885   0.791   1.014  0.00  0.00    +0.273 A 
ATOM      4  C   LIG    1       -6.086  -0.010   0.075  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -4.782  -0.305   0.426  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.935  -1.060  -0.396  0.00  0.00    +0.077 A 
ATOM      7  N   LIG    1       -2.598  -1.366  -0.047  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1       -2.162  -0.908   1.098  0.00  0.00    +0.123 A 
ATOM      9  N   LIG    1       -2.954  -0.166   1.948  0.00  0.00    -0.325 N 
ATOM     10  H   LIG    1       -2.569   0.172   2.819  0.00  0.00    +0.169 HD
ATOM     11  C   LIG    1       -4.450  -1.520  -1.609  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -5.771  -1.229  -1.981  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -4.253   0.184   1.701  0.00  0.00    +0.162 A 
ATOM     14  N   LIG    1       -4.959   0.893   2.531  0.00  0.00    -0.153 NA
ATOM     15  C   LIG    1       -6.593  -0.473  -1.139  0.00  0.00    +0.014 A 
ATOM     16  N   LIG    1       -6.250   1.181   2.175  0.00  0.00    -0.241 N 
ATOM     17  H   LIG    1       -6.788   1.736   2.834  0.00  0.00    +0.192 HD
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        0.265  -0.266   0.924  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1        0.339  -0.366  -0.543  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1        1.789  -0.258  -1.057  0.00  0.00    +0.125 C 
ATOM     21  N   LIG    1        2.334   1.126  -0.998  0.00  0.00    -0.175 NA
ATOM     22  C   LIG    1        2.393   1.697   0.371  0.00  0.00    +0.111 C 
ATOM     23  C   LIG    1        1.004   2.174   0.770  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1        0.137   1.101   1.433  0.00  0.00    +0.086 C 
BRANCH  21  25
ATOM     25  S   LIG    1        3.664   1.443  -2.016  0.00  0.00    +0.061 S 
ATOM     26  O   LIG    1        4.017   2.842  -1.889  0.00  0.00    -0.153 OA
ATOM     27  O   LIG    1        3.393   0.863  -3.315  0.00  0.00    -0.153 OA
BRANCH  25  28
ATOM     28  C   LIG    1        4.976   0.495  -1.275  0.00  0.00    +0.108 A 
ATOM     29  C   LIG    1        5.780   1.083  -0.296  0.00  0.00    +0.066 A 
ATOM     30  C   LIG    1        6.814   0.339   0.255  0.00  0.00    +0.125 A 
ATOM     31  F   LIG    1        7.583   0.885   1.205  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        7.066  -0.966  -0.161  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        6.276  -1.540  -1.157  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.231  -0.807  -1.723  0.00  0.00    +0.029 A 
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH   1  18
TORSDOF 4