REMARK  Name = BDB015643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.254   0.943   0.411  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -1.855  -0.143  -0.076  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -1.046  -1.168  -0.382  0.00  0.00    +0.163 A 
ATOM      4  N   LIG    1        0.286  -1.168  -0.183  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1        0.843  -0.046   0.322  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        0.089   1.054   0.660  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.316  -0.054   0.514  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.920  -1.209   0.851  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        4.287  -1.300   1.059  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        4.841  -2.592   1.434  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        5.139  -0.205   0.935  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        6.350  -0.244   1.137  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        4.490   1.081   0.522  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.391   2.259   0.332  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        3.161   1.117   0.330  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   3  16
ATOM     16  C   LIG    1       -1.651  -2.397  -0.930  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -2.720  -2.396  -1.862  0.00  0.00    -0.040 A 
ATOM     18  C   LIG    1       -3.317  -1.122  -2.405  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.263  -3.617  -2.307  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -2.750  -4.835  -1.867  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -1.687  -4.853  -0.974  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -1.147  -3.650  -0.514  0.00  0.00    +0.012 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  N   LIG    1       -2.193   1.961   0.718  0.00  0.00    -0.204 N 
ATOM     24  H   LIG    1       -3.111   1.548   0.536  0.00  0.00    +0.175 HD
BRANCH  23  25
ATOM     25  S   LIG    1       -2.045   3.364  -0.214  0.00  0.00    +0.044 S 
ATOM     26  O   LIG    1       -0.655   3.766  -0.257  0.00  0.00    -0.155 OA
ATOM     27  O   LIG    1       -2.806   3.152  -1.425  0.00  0.00    -0.155 OA
BRANCH  25  29
ATOM     28  C   LIG    1       -4.366   4.206   1.027  0.00  0.00    +0.030 C 
ATOM     29  C   LIG    1       -2.907   4.551   0.807  0.00  0.00    +0.185 C 
ENDBRANCH  25  29
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 5