REMARK  Name = BDB002655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.990  -0.876  -0.068  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.063  -0.180  -0.615  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.019  -0.173   0.393  0.00  0.00    +0.111 A 
ATOM      4  C   LIG    1       -2.260   0.461   0.176  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -2.513   1.099  -1.058  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1       -1.529   1.053  -2.076  0.00  0.00    -0.044 A 
ATOM      7  C   LIG    1       -1.770   1.689  -3.423  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -3.836   1.780  -1.299  0.00  0.00    +0.046 C 
ATOM      9  N   LIG    1       -0.565  -0.825   1.518  0.00  0.00    -0.234 NA
ATOM     10  C   LIG    1       -0.286   0.420  -1.858  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        0.641  -1.239   1.206  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   4  12
ATOM     12  N   LIG    1       -3.257   0.352   1.214  0.00  0.00    -0.218 N 
ATOM     13  H   LIG    1       -2.777   0.205   2.112  0.00  0.00    +0.173 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -4.312  -0.977   1.042  0.00  0.00    +0.040 S 
ATOM     15  O   LIG    1       -4.069  -1.852   2.168  0.00  0.00    -0.155 OA
ATOM     16  O   LIG    1       -4.318  -1.462  -0.321  0.00  0.00    -0.155 OA
ATOM     17  C   LIG    1       -5.866  -0.166   1.330  0.00  0.00    +0.218 C 
ENDBRANCH  12  14
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  C   LIG    1        2.236  -1.240  -0.724  0.00  0.00    +0.158 C 
BRANCH  18  21
ATOM     19  C   LIG    1        4.476  -2.583   0.814  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        4.457  -1.101   0.555  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1        3.414  -0.474  -0.163  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1        3.476   0.918  -0.375  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.538   1.675   0.117  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.560   1.055   0.824  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.521  -0.322   1.041  0.00  0.00    +0.004 A 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4