REMARK  Name = BDB020841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.469  -0.315   0.434  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.648  -1.481   0.370  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        0.289  -1.303   0.451  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.248  -2.557   0.440  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.708  -3.448   0.304  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.312  -0.047   0.562  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.433   1.022   0.646  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.907  -2.769   0.257  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.804   0.855   0.583  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  O   LIG    1        8.302  -0.303   0.317  0.00  0.00    -0.174 OA
ATOM     11  S   LIG    1        6.978  -0.663  -0.158  0.00  0.00    -0.027 S 
ATOM     12  C   LIG    1        6.065   0.841  -0.361  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        4.605   0.551  -0.655  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1        3.940  -0.353   0.364  0.00  0.00    -0.036 C 
ATOM     15  C   LIG    1        4.630  -1.208   1.147  0.00  0.00    -0.000 C 
ATOM     16  C   LIG    1        6.111  -1.461   1.179  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        6.821  -1.448  -1.368  0.00  0.00    -0.174 OA
ENDBRANCH   1  14
BRANCH   6  18
ATOM     18  N   LIG    1       -1.681   0.078   0.611  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.896   1.017   0.942  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.463  -0.170  -0.597  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.924  -0.108  -0.265  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.641   1.084  -0.235  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.198   2.481  -0.465  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.563   3.164  -0.557  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.543   2.350   0.124  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.984   1.099   0.123  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.670  -0.049   0.468  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.973  -1.256   0.439  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.619  -1.276   0.079  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.975  -2.453   0.073  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4