REMARK  Name = BDB006870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.916   0.242  -0.250  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -4.405  -1.045  -0.489  0.00  0.00    +0.148 A 
ATOM      3  F   LIG    1       -5.702  -1.253  -0.753  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1       -3.556  -2.148  -0.457  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.208  -1.941  -0.187  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -1.119  -2.979  -0.075  0.00  0.00    +0.008 C 
ATOM      7  C   LIG    1        0.130  -2.087   0.148  0.00  0.00    +0.124 C 
ATOM      8  N   LIG    1       -0.331  -0.693   0.291  0.00  0.00    -0.269 N 
ATOM      9  C   LIG    1        0.471   0.404   0.600  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1        0.027   1.547   0.729  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1       -0.983  -3.806  -1.357  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -1.358  -3.896   1.130  0.00  0.00    +0.017 C 
ATOM     13  C   LIG    1       -1.717  -0.653   0.047  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -2.560   0.450   0.021  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  15
ATOM     15  S   LIG    1       -5.081   1.567  -0.305  0.00  0.00    -0.001 S 
ATOM     16  O   LIG    1       -5.485   1.697  -1.692  0.00  0.00    -0.169 OA
ATOM     17  O   LIG    1       -6.044   1.311   0.750  0.00  0.00    -0.169 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -5.139   4.260   0.141  0.00  0.00    +0.028 C 
ATOM     19  C   LIG    1       -4.213   3.058   0.133  0.00  0.00    +0.168 C 
ENDBRANCH  15  19
ENDBRANCH   1  15
BRANCH   9  20
ATOM     20  C   LIG    1        1.971   0.076   0.799  0.00  0.00    +0.181 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.829   1.280   0.853  0.00  0.00    -0.291 NA
ATOM     22  C   LIG    1        4.196   0.955   1.321  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1        5.307   0.951   0.227  0.00  0.00    +0.065 C 
ATOM     24  C   LIG    1        6.514   0.137   0.686  0.00  0.00    +0.025 C 
ATOM     25  N   LIG    1        4.818   0.422  -1.060  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1        4.469  -0.521  -0.899  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        3.702   1.257  -1.544  0.00  0.00    +0.096 C 
ATOM     28  C   LIG    1        2.893   1.987  -0.441  0.00  0.00    +0.100 C 
ENDBRANCH  20  21
ENDBRANCH   9  20
TORSDOF 4