REMARK  Name = BDB006089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.921  -0.636   1.504  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -7.800   0.021  -1.908  0.00  0.00    -0.266 OA
ATOM      3  C   LIG    1       -6.662  -0.151  -1.488  0.00  0.00    +0.273 A 
ATOM      4  C   LIG    1       -6.267   0.314  -0.151  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -4.966   0.083   0.256  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.486   0.495   1.508  0.00  0.00    +0.077 A 
ATOM      7  N   LIG    1       -3.153   0.272   1.935  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1       -2.368  -0.351   1.097  0.00  0.00    +0.123 A 
ATOM      9  N   LIG    1       -2.790  -0.790  -0.137  0.00  0.00    -0.325 N 
ATOM     10  H   LIG    1       -2.089  -1.213  -0.736  0.00  0.00    +0.169 HD
ATOM     11  C   LIG    1       -5.375   1.156   2.358  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -6.698   1.395   1.961  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -4.043  -0.612  -0.648  0.00  0.00    +0.162 A 
ATOM     14  N   LIG    1       -4.393  -1.018  -1.833  0.00  0.00    -0.153 NA
ATOM     15  C   LIG    1       -7.148   0.976   0.705  0.00  0.00    +0.014 A 
ATOM     16  N   LIG    1       -5.683  -0.781  -2.228  0.00  0.00    -0.241 N 
ATOM     17  H   LIG    1       -5.939  -1.109  -3.154  0.00  0.00    +0.192 HD
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1       -0.055  -0.644   0.303  0.00  0.00    -0.293 NA
ATOM     19  C   LIG    1        0.194   0.729  -0.205  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1        1.532   1.353   0.236  0.00  0.00    +0.125 C 
ATOM     21  N   LIG    1        2.696   0.525  -0.216  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        2.369  -0.933  -0.327  0.00  0.00    +0.125 C 
ATOM     23  C   LIG    1        1.223  -1.325   0.622  0.00  0.00    +0.102 C 
BRANCH  21  24
ATOM     24  S   LIG    1        4.136   0.901   0.616  0.00  0.00    +0.061 S 
ATOM     25  O   LIG    1        4.297   2.339   0.617  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        4.125   0.140   1.847  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.385   0.236  -0.451  0.00  0.00    +0.108 A 
ATOM     28  C   LIG    1        5.478   0.720  -1.758  0.00  0.00    +0.066 A 
ATOM     29  C   LIG    1        6.453   0.196  -2.595  0.00  0.00    +0.125 A 
ATOM     30  F   LIG    1        6.552   0.644  -3.852  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        7.330  -0.791  -2.150  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1        7.236  -1.265  -0.840  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        6.260  -0.751   0.016  0.00  0.00    +0.029 A 
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 4