REMARK  Name = BDB051212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.350  -2.675   0.562  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        0.590  -1.355   0.621  0.00  0.00    -0.206 NA
ATOM      3  C   LIG    1        1.718  -0.901   0.053  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        2.590  -1.752  -0.589  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        2.270  -3.096  -0.600  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        3.170  -4.082  -1.282  0.00  0.00    +0.066 C 
ATOM      7  N   LIG    1        1.155  -3.575  -0.022  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        1.889   0.483   0.144  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        1.048   0.859   0.581  0.00  0.00    +0.155 HD
BRANCH   8  10
ATOM     10  C   LIG    1        2.984   1.257  -0.028  0.00  0.00    +0.120 A 
ATOM     11  N   LIG    1        2.854   2.623  -0.017  0.00  0.00    -0.264 N 
ATOM     12  H   LIG    1        2.003   3.161   0.092  0.00  0.00    +0.190 HD
ATOM     13  N   LIG    1        4.006   3.288  -0.196  0.00  0.00    -0.178 NA
ATOM     14  C   LIG    1        4.920   2.318  -0.300  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        6.351   2.656  -0.486  0.00  0.00    +0.067 C 
ATOM     16  C   LIG    1        4.331   1.034  -0.199  0.00  0.00    +0.068 A 
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  17
ATOM     17  S   LIG    1       -1.127  -3.304   1.331  0.00  0.00    -0.050 S 
BRANCH  17  21
ATOM     18  C   LIG    1       -4.138   0.033   0.355  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1       -3.921  -1.019  -0.544  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.004  -2.034  -0.249  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1       -2.291  -2.011   0.951  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -2.518  -0.973   1.857  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -3.433   0.045   1.558  0.00  0.00    +0.024 A 
BRANCH  18  26
ATOM     24  C   LIG    1       -6.473   2.971  -0.038  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -5.414   2.165   0.672  0.00  0.00    +0.214 C 
ATOM     26  N   LIG    1       -5.075   1.017  -0.021  0.00  0.00    -0.286 N 
ATOM     27  H   LIG    1       -5.534   0.873  -0.912  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1       -4.930   2.561   1.727  0.00  0.00    -0.276 OA
ENDBRANCH  18  26
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 5