REMARK  Name = BDB046727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.207  -0.989   3.011  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1        0.234  -0.210   3.667  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.713  -0.925   1.927  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.035   0.324   1.388  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -1.882   0.336   0.300  0.00  0.00    +0.071 A 
ATOM      6  N   LIG    1       -2.367   1.410  -0.456  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -3.201   0.914  -1.483  0.00  0.00    +0.330 A 
ATOM      8  N   LIG    1       -3.215  -0.490  -1.330  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -3.933  -1.411  -2.161  0.00  0.00    +0.154 C 
ATOM     10  O   LIG    1       -3.788   1.567  -2.331  0.00  0.00    -0.246 OA
ATOM     11  C   LIG    1       -2.053   2.792  -0.235  0.00  0.00    +0.154 C 
ATOM     12  C   LIG    1       -2.405  -0.840  -0.243  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -2.104  -2.079   0.279  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -1.240  -2.114   1.379  0.00  0.00    +0.026 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        1.744  -1.644   2.746  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        2.538  -1.289   3.902  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.612  -3.019   2.315  0.00  0.00    -0.150 OA
BRANCH  15  23
ATOM     18  C   LIG    1        3.806   1.645  -1.921  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        3.278   0.829  -0.780  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        3.383   1.302   0.532  0.00  0.00    +0.128 A 
ATOM     21  F   LIG    1        3.931   2.503   0.765  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        2.926   0.557   1.613  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1        2.347  -0.690   1.373  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        2.259  -1.201   0.074  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1        2.724  -0.440  -1.000  0.00  0.00    +0.008 A 
ENDBRANCH  15  23
ENDBRANCH   1  15
TORSDOF 3