REMARK  Name = BDB061041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.722  -4.337   0.053  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        0.759  -3.190  -0.059  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1        0.591  -2.213   0.938  0.00  0.00    +0.110 A 
ATOM      4  C   LIG    1       -0.346  -1.178   0.775  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -1.112  -1.083  -0.389  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -0.954  -2.049  -1.378  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -0.037  -3.093  -1.211  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1       -2.007  -0.006  -0.476  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -2.077   0.619   0.327  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -2.802   0.370  -1.545  0.00  0.00    +0.239 C 
ATOM     11  O   LIG    1       -2.761  -0.114  -2.674  0.00  0.00    -0.273 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -3.656   1.608  -1.248  0.00  0.00    +0.243 C 
BRANCH  12  13
ATOM     13  N   LIG    1       -3.974   1.741   0.177  0.00  0.00    -0.220 N 
ATOM     14  C   LIG    1       -5.197   1.262   0.645  0.00  0.00    +0.270 A 
ATOM     15  O   LIG    1       -6.047   0.721  -0.055  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -5.468   1.435   2.085  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -4.544   2.003   2.849  0.00  0.00    +0.148 A 
ATOM     18  F   LIG    1       -4.696   2.205   4.168  0.00  0.00    -0.204 F 
ATOM     19  C   LIG    1       -3.281   2.421   2.243  0.00  0.00    +0.171 A 
ATOM     20  N   LIG    1       -2.990   2.293   0.987  0.00  0.00    -0.173 NA
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   5   8
BRANCH   3  21
ATOM     21  S   LIG    1        1.564  -2.196   2.435  0.00  0.00    +0.059 S 
ATOM     22  O   LIG    1        1.767  -3.557   2.874  0.00  0.00    -0.153 OA
ATOM     23  O   LIG    1        1.013  -1.196   3.324  0.00  0.00    -0.153 OA
BRANCH  21  24
ATOM     24  N   LIG    1        3.035  -1.633   1.885  0.00  0.00    -0.190 NA
ATOM     25  H   LIG    1        3.833  -2.260   1.953  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.180  -0.273   1.360  0.00  0.00    +0.112 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.506  -0.322  -0.131  0.00  0.00    +0.072 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.343   1.035  -0.759  0.00  0.00    +0.043 A 
ATOM     29  N   LIG    1        4.269   1.972  -0.442  0.00  0.00    -0.260 NA
ATOM     30  C   LIG    1        4.124   3.197  -0.992  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        3.089   3.542  -1.845  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        2.145   2.572  -2.155  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        2.268   1.299  -1.607  0.00  0.00    +0.023 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH   3  21
TORSDOF 8