REMARK  Name = BDB032874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.050   0.511  -0.576  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.203   0.850  -0.119  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.349   1.651   0.475  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.363  -0.516  -1.170  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -3.444   1.031   0.046  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.134   1.488  -0.236  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.842   2.864  -0.199  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.827   3.782   0.160  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.106   3.334   0.476  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.413   1.972   0.414  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -4.840  -2.481  -0.103  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.914  -1.009   0.220  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -3.737  -0.351  -0.069  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -2.978  -0.914  -0.464  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -5.924  -0.525   0.718  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        1.301   0.067  -0.343  0.00  0.00    +0.165 A 
ATOM     17  S   LIG    1        2.726   0.651   0.393  0.00  0.00    -0.057 S 
ATOM     18  C   LIG    1        3.595  -0.687  -0.251  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        2.722  -1.473  -0.981  0.00  0.00    +0.124 A 
ATOM     20  N   LIG    1        1.414  -1.036  -1.032  0.00  0.00    -0.233 NA
BRANCH  18  21
ATOM     21  C   LIG    1        5.067  -0.901  -0.014  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1        5.913   0.228  -0.605  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        5.386  -1.111   1.467  0.00  0.00    +0.013 C 
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 4