REMARK  Name = BDB033685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.811  -0.481   2.141  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -1.947  -0.808   3.470  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -0.778  -0.802   4.187  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1        0.424  -0.503   3.650  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.456  -0.205   2.346  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -0.630  -0.178   1.565  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.193  -1.129   4.074  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -4.201  -1.391   4.585  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1        1.711   0.079   1.828  0.00  0.00    -0.308 N 
ATOM     10  H   LIG    1        2.274   0.295   2.653  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.760   1.127   0.797  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1        3.100   1.882   0.869  0.00  0.00    +0.202 C 
ATOM     13  F   LIG    1        3.335   2.244   2.163  0.00  0.00    -0.242 F 
ATOM     14  C   LIG    1        4.267   1.039   0.362  0.00  0.00    +0.148 C 
ATOM     15  N   LIG    1        3.991   0.554  -1.029  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        2.769  -0.302  -1.040  0.00  0.00    +0.111 C 
ATOM     17  C   LIG    1        1.569   0.534  -0.605  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  S   LIG    1        5.371  -0.141  -1.765  0.00  0.00    +0.029 S 
ATOM     19  O   LIG    1        6.469   0.784  -1.591  0.00  0.00    -0.158 OA
ATOM     20  O   LIG    1        5.464  -1.513  -1.317  0.00  0.00    -0.158 OA
ATOM     21  C   LIG    1        4.924  -0.122  -3.490  0.00  0.00    +0.215 C 
ENDBRANCH  15  18
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  22
ATOM     22  O   LIG    1       -2.954  -0.481   1.363  0.00  0.00    -0.469 OA
BRANCH  22  25
ATOM     23  C   LIG    1       -4.044   1.070  -1.899  0.00  0.00    +0.045 C 
ATOM     24  C   LIG    1       -4.147   0.277  -0.595  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1       -2.764  -0.079  -0.007  0.00  0.00    +0.206 C 
ATOM     26  C   LIG    1       -2.335  -1.282  -0.853  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -3.632  -2.012  -1.224  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -4.785  -1.096  -0.814  0.00  0.00    +0.038 C 
BRANCH  24  29
ATOM     29  O   LIG    1       -4.923   1.053   0.315  0.00  0.00    -0.385 OA
ATOM     30  H   LIG    1       -4.894   0.594   1.175  0.00  0.00    +0.210 HD
ENDBRANCH  24  29
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 7