REMARK  Name = BDB033409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.563  -0.495   2.271  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1        0.245  -0.534   3.238  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -3.386   1.195   0.191  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.032   1.564   0.441  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -1.424   0.487   1.098  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -0.078   0.515   1.494  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1        0.648   1.684   1.240  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        0.073   2.764   0.577  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.385  -0.495   1.221  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -2.200  -1.425   1.587  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.264   2.717   0.173  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -3.572  -0.079   0.680  0.00  0.00    +0.102 A 
BRANCH   3  14
ATOM     13  N   LIG    1       -5.201   2.621  -0.984  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -4.389   1.981  -0.458  0.00  0.00    +0.101 C 
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  S   LIG    1        0.710  -2.047   1.630  0.00  0.00    +0.090 S 
ATOM     16  O   LIG    1       -0.617  -2.558   1.344  0.00  0.00    -0.148 OA
ATOM     17  O   LIG    1        1.611  -2.787   2.487  0.00  0.00    -0.148 OA
BRANCH  15  18
ATOM     18  C   LIG    1        1.520  -2.005   0.083  0.00  0.00    +0.204 A 
ATOM     19  N   LIG    1        2.225  -0.884  -0.354  0.00  0.00    -0.215 NA
ATOM     20  C   LIG    1        2.735  -1.105  -1.556  0.00  0.00    +0.183 A 
ATOM     21  S   LIG    1        2.398  -2.674  -2.203  0.00  0.00    -0.070 S 
ATOM     22  C   LIG    1        1.515  -3.073  -0.790  0.00  0.00    +0.096 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.553  -0.140  -2.373  0.00  0.00    +0.441 C 
ATOM     24  F   LIG    1        4.796  -0.621  -2.643  0.00  0.00    -0.164 F 
ATOM     25  F   LIG    1        3.729   1.055  -1.748  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1        2.973   0.135  -3.574  0.00  0.00    -0.164 F 
ENDBRANCH  20  23
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5