REMARK  Name = BDB002764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.637  -0.787   0.284  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1        3.544  -0.884  -0.161  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        2.785  -0.716   1.642  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1        3.906  -0.977   2.092  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -0.842  -0.869  -1.125  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1        0.202  -0.924  -0.183  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        1.527  -0.739  -0.576  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        1.801  -0.541  -1.936  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        0.772  -0.484  -2.879  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -0.551  -0.642  -2.474  0.00  0.00    +0.015 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -2.233  -1.070  -0.634  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1       -2.503  -1.284   0.538  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -3.119  -0.984  -1.656  0.00  0.00    -0.458 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -5.327  -0.444  -2.374  0.00  0.00    +0.052 C 
ATOM     15  C   LIG    1       -4.505  -1.161  -1.310  0.00  0.00    +0.171 C 
ATOM     16  C   LIG    1       -4.837  -2.648  -1.282  0.00  0.00    +0.052 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        1.624  -0.308   2.534  0.00  0.00    +0.172 C 
BRANCH  17  18
ATOM     18  S   LIG    1        2.188   0.428   4.101  0.00  0.00    -0.088 S 
BRANCH  18  19
ATOM     19  C   LIG    1        3.016   1.846   3.499  0.00  0.00    +0.160 A 
ATOM     20  S   LIG    1        4.188   2.697   4.412  0.00  0.00    -0.025 S 
ATOM     21  C   LIG    1        4.340   3.768   3.077  0.00  0.00    +0.180 A 
ATOM     22  N   LIG    1        3.556   3.471   2.064  0.00  0.00    -0.125 NA
ATOM     23  N   LIG    1        2.780   2.355   2.310  0.00  0.00    -0.133 NA
BRANCH  21  24
ATOM     24  N   LIG    1        5.205   4.801   3.097  0.00  0.00    -0.336 N 
ATOM     25  H   LIG    1        6.000   4.728   3.721  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        5.437   5.187   2.188  0.00  0.00    +0.144 HD
ENDBRANCH  21  24
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8