REMARK  Name = BDB003135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.129   0.827   0.023  0.00  0.00    +0.098 C 
ATOM      2  C   LIG    1       -2.692   0.336  -1.098  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.990  -0.321  -2.142  0.00  0.00    +0.043 A 
ATOM      4  N   LIG    1       -1.453  -1.581  -1.975  0.00  0.00    -0.350 N 
ATOM      5  C   LIG    1       -1.547  -2.427  -0.802  0.00  0.00    +0.149 C 
ATOM      6  C   LIG    1       -0.817  -1.959  -3.133  0.00  0.00    +0.086 A 
ATOM      7  C   LIG    1       -1.000  -0.968  -4.069  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.762   0.052  -3.454  0.00  0.00    +0.027 A 
ENDBRANCH   2   3
BRANCH   1  11
ATOM      9  N   LIG    1        0.206   1.108  -0.713  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -0.170   1.243  -1.643  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -0.641   0.797   0.314  0.00  0.00    +0.258 C 
ATOM     12  O   LIG    1       -0.265   0.594   1.469  0.00  0.00    -0.269 OA
BRANCH   9  13
ATOM     13  C   LIG    1        1.649   1.050  -0.568  0.00  0.00    +0.120 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.180  -0.393  -0.668  0.00  0.00    +0.103 C 
BRANCH  14  15
ATOM     15  N   LIG    1        3.653  -0.513  -0.690  0.00  0.00    -0.301 NA
BRANCH  15  17
ATOM     16  C   LIG    1        3.961  -0.634   1.839  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1        4.304   0.035   0.511  0.00  0.00    +0.081 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1        4.031  -1.905  -0.991  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1        5.524  -2.105  -1.227  0.00  0.00    +0.020 C 
ENDBRANCH  15  18
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   1  11
BRANCH   1  20
ATOM     20  N   LIG    1       -2.838   1.366   1.092  0.00  0.00    -0.277 N 
ATOM     21  H   LIG    1       -2.238   1.586   1.881  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -4.201   1.547   1.258  0.00  0.00    +0.255 C 
ATOM     23  O   LIG    1       -5.024   1.238   0.400  0.00  0.00    -0.269 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -4.579   2.134   2.547  0.00  0.00    +0.074 A 
ATOM     25  S   LIG    1       -6.251   2.212   2.956  0.00  0.00    -0.092 S 
ATOM     26  C   LIG    1       -5.931   2.947   4.462  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -4.585   3.143   4.663  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -3.806   2.678   3.561  0.00  0.00    +0.021 A 
ENDBRANCH  22  24
ENDBRANCH   1  20
TORSDOF 9