REMARK  Name = BDB020506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.713  -0.754   2.449  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -2.680  -0.937   0.935  0.00  0.00    +0.171 C 
ATOM      3  N   LIG    1       -1.609  -0.171   0.327  0.00  0.00    -0.318 N 
ATOM      4  C   LIG    1       -0.375  -0.703   0.057  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1        0.330   0.335  -0.518  0.00  0.00    +0.094 A 
ATOM      6  N   LIG    1       -0.446   1.471  -0.572  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -0.083  -2.096   0.435  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -1.285  -2.897   0.238  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -1.098  -4.327   0.071  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -1.617   1.131  -0.079  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -2.545  -2.427   0.608  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -3.524  -3.170   0.709  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        1.706   0.312  -0.972  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        2.566   1.351  -0.585  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        3.919   1.369  -1.003  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1        4.370   0.331  -1.822  0.00  0.00    +0.019 A 
ATOM     17  S   LIG    1        6.036   0.524  -2.222  0.00  0.00    -0.097 S 
ATOM     18  C   LIG    1        6.160   1.970  -1.327  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        3.513  -0.707  -2.236  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        4.968   2.309  -0.730  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        2.182  -0.697  -1.806  0.00  0.00    +0.011 A 
ENDBRANCH   5  13
BRANCH  10  22
ATOM     22  C   LIG    1       -2.823   2.110   0.008  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -3.044   2.883   1.281  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -2.560   3.593   0.051  0.00  0.00    +0.012 C 
ENDBRANCH  10  22
TORSDOF 2