REMARK  Name = BDB062173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.987  -2.695  -0.057  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1       -3.225  -1.585   0.288  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -3.623  -0.190   0.148  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -2.496   0.723  -0.344  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1       -1.079   0.359   0.185  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -1.215  -0.603   1.388  0.00  0.00    +0.040 C 
ATOM      7  C   LIG    1       -1.998  -1.861   1.020  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -3.592  -3.847   0.122  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -0.333   1.675   0.513  0.00  0.00    -0.032 A 
ATOM     10  C   LIG    1       -0.057   2.586  -0.530  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        0.651   3.765  -0.292  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        1.094   4.063   0.992  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        0.826   3.184   2.037  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        0.119   2.001   1.802  0.00  0.00    +0.004 A 
ENDBRANCH   5   9
BRANCH   5  15
ATOM     15  C   LIG    1       -0.272  -0.407  -0.909  0.00  0.00    +0.243 C 
ATOM     16  N   LIG    1        1.112  -0.514  -0.654  0.00  0.00    -0.185 N 
ATOM     17  H   LIG    1        1.507  -0.036   0.150  0.00  0.00    +0.177 HD
ATOM     18  O   LIG    1       -0.786  -0.885  -1.910  0.00  0.00    -0.273 OA
BRANCH  16  19
ATOM     19  S   LIG    1        2.203  -0.940  -1.839  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        2.058  -0.040  -2.962  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.208  -2.378  -1.978  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.727  -0.485  -1.026  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        4.131   0.856  -1.036  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        5.317   1.217  -0.396  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        6.082   0.240   0.235  0.00  0.00    +0.124 A 
ATOM     26  F   LIG    1        7.219   0.591   0.850  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        5.688  -1.096   0.237  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        4.503  -1.467  -0.400  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  16  19
ENDBRANCH   5  15
BRANCH   1  30
ATOM     29  C   LIG    1       -5.887  -3.376  -1.443  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -5.335  -2.459  -0.637  0.00  0.00    +0.060 C 
ENDBRANCH   1  30
TORSDOF 5