REMARK  Name = BDB022103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.289   0.905   0.500  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        0.592   0.859  -0.580  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1        1.842   0.511  -0.037  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1        1.722   0.180   1.287  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1        0.473   0.490   1.605  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   1  10
ATOM      6  N   LIG    1       -4.777  -1.155   0.150  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.357  -1.587   0.132  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -2.470  -0.946   1.225  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -2.590   0.518   1.196  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -1.679   1.334   0.518  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1       -2.012   2.397  -0.001  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -3.976   0.979   1.277  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -4.834   0.329   0.172  0.00  0.00    +0.103 C 
BRANCH   6  15
ATOM     14  C   LIG    1       -7.020  -1.608   1.146  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -5.509  -1.788   1.257  0.00  0.00    +0.081 C 
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   3  16
ATOM     16  C   LIG    1        3.151   0.480  -0.661  0.00  0.00    +0.252 A 
ATOM     17  N   LIG    1        4.187   0.035   0.085  0.00  0.00    -0.210 NA
ATOM     18  C   LIG    1        5.416   0.023  -0.472  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1        5.635   0.451  -1.764  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        4.529   0.888  -2.450  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        3.290   0.913  -1.930  0.00  0.00    -0.219 NA
BRANCH  18  22
ATOM     22  C   LIG    1        6.468  -0.481   0.429  0.00  0.00    +0.038 A 
ATOM     23  S   LIG    1        8.104  -0.653  -0.077  0.00  0.00    -0.095 S 
ATOM     24  C   LIG    1        8.602  -1.244   1.445  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        7.558  -1.317   2.336  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        6.334  -0.880   1.752  0.00  0.00    +0.017 A 
ENDBRANCH  18  22
ENDBRANCH   3  16
BRANCH   2  27
ATOM     27  C   LIG    1        0.357   1.120  -2.051  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1       -0.959   0.522  -2.561  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        0.438   2.612  -2.371  0.00  0.00    +0.014 C 
ENDBRANCH   2  27
TORSDOF 5