REMARK  Name = BDB001827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.553  -0.518   2.799  0.00  0.00    -0.202 N 
ATOM      2  H   LIG    1       -0.136   0.056   3.277  0.00  0.00    +0.178 HD
ATOM      3  C   LIG    1        0.081  -1.137   1.633  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1        0.575  -2.172   1.179  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.052  -0.471   0.990  0.00  0.00    +0.099 A 
ATOM      6  C   LIG    1       -1.790  -0.912  -0.097  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -2.834   0.002  -0.496  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -2.809   1.125   0.326  0.00  0.00    +0.111 A 
ATOM      9  N   LIG    1       -3.613   2.204   0.260  0.00  0.00    -0.245 NA
ATOM     10  C   LIG    1       -4.537   2.161  -0.717  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -4.680   1.097  -1.600  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -5.455   3.344  -0.831  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1       -3.836  -0.022  -1.507  0.00  0.00    -0.037 A 
ATOM     14  C   LIG    1       -4.032  -1.157  -2.473  0.00  0.00    +0.044 C 
ATOM     15  S   LIG    1       -1.608   1.057   1.525  0.00  0.00    -0.062 S 
BRANCH   6  16
ATOM     16  N   LIG    1       -1.538  -2.096  -0.707  0.00  0.00    -0.356 N 
ATOM     17  H   LIG    1       -0.690  -2.612  -0.449  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -1.812  -2.272  -1.667  0.00  0.00    +0.142 HD
ENDBRANCH   6  16
ENDBRANCH   3   5
BRANCH   1  20
ATOM     19  C   LIG    1        2.616  -1.457   3.208  0.00  0.00    +0.138 C 
ATOM     20  N   LIG    1        1.428  -1.148   3.645  0.00  0.00    -0.187 NA
BRANCH  19  24
ATOM     21  C   LIG    1        4.705  -0.285  -0.337  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        3.877   0.633   0.311  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        3.182   0.261   1.466  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        3.303  -1.037   1.968  0.00  0.00    -0.005 A 
ATOM     25  C   LIG    1        4.147  -1.954   1.340  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        4.838  -1.576   0.186  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1        5.306   1.233  -2.064  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        5.437  -0.051  -1.468  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5