REMARK  Name = BDB030308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.173   0.570   1.114  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.168   1.083   0.272  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.409   0.446   0.208  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        3.404   0.972  -0.644  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        3.220   1.798  -1.198  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        4.671   0.440  -0.799  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        4.965  -0.750  -0.011  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.010  -1.286   0.834  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        4.575  -2.670   1.648  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        6.104  -2.571   0.884  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.181  -1.500   0.021  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        5.483   0.956  -1.562  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        2.676  -0.703   0.984  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.681  -1.198   1.832  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        0.438  -0.560   1.899  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1       -1.612   1.902   0.123  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1       -1.181   1.718  -0.773  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -1.167   1.210   1.228  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -1.826   1.080   2.253  0.00  0.00    -0.270 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -2.971   2.405   0.068  0.00  0.00    +0.163 C 
BRANCH  20  25
ATOM     21  C   LIG    1       -6.155  -1.471  -0.881  0.00  0.00    +0.089 C 
ATOM     22  C   LIG    1       -5.226  -0.329  -0.846  0.00  0.00    +0.135 A 
ATOM     23  O   LIG    1       -4.818   0.156  -2.049  0.00  0.00    -0.360 OA
ATOM     24  N   LIG    1       -3.946   1.213  -1.849  0.00  0.00    -0.081 NA
ATOM     25  C   LIG    1       -3.850   1.356  -0.519  0.00  0.00    +0.101 A 
ATOM     26  C   LIG    1       -4.638   0.398   0.159  0.00  0.00    +0.072 A 
ENDBRANCH  20  25
ENDBRANCH  16  20
ENDBRANCH   1  18
TORSDOF 3