REMARK  Name = BDB025372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.608  -0.021   0.726  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.659   0.251   0.142  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.139   0.197  -1.185  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.505   0.346  -1.106  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.579   0.323  -2.133  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        4.941   0.077  -1.457  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        5.136   1.030  -0.324  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        4.149   0.899   0.796  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.780   0.620   0.245  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.686   0.578   0.999  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -0.760   0.161   1.933  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -4.938   1.106   0.891  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1       -3.648   0.888   0.392  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -3.080  -0.401   0.382  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1       -1.679  -0.597  -0.187  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -1.398  -2.081  -0.459  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1       -1.874  -2.929   0.712  0.00  0.00    +0.102 C 
ATOM     18  N   LIG    1       -3.315  -2.799   0.857  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -3.693  -3.363   1.615  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -3.803  -1.484   0.909  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -5.109  -1.265   1.362  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -5.670   0.014   1.363  0.00  0.00    +0.005 A 
BRANCH  12  24
ATOM     23  C   LIG    1       -6.263   2.785  -0.419  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -5.540   2.487   0.886  0.00  0.00    +0.032 C 
ENDBRANCH  12  24
ENDBRANCH   1  15
BRANCH   7  25
ATOM     25  S   LIG    1        6.718   1.387   0.133  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1        6.668   2.365   1.197  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        7.480   1.631  -1.074  0.00  0.00    -0.158 OA
ATOM     28  C   LIG    1        7.293  -0.150   0.829  0.00  0.00    +0.215 C 
ENDBRANCH   7  25
BRANCH   3  29
ATOM     29  N   LIG    1        0.400   0.019  -2.313  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -0.418   0.616  -2.444  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        0.913   0.028  -3.196  0.00  0.00    +0.144 HD
ENDBRANCH   3  29
TORSDOF 4