REMARK  Name = BDB033756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.100  -0.866  -0.365  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1        1.948  -1.645  -1.495  0.00  0.00    +0.096 A 
ATOM      3  C   LIG    1        0.654  -1.794  -1.937  0.00  0.00    +0.135 A 
ATOM      4  N   LIG    1       -0.415  -1.234  -1.335  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1       -0.192  -0.496  -0.241  0.00  0.00    +0.220 A 
ATOM      6  N   LIG    1        1.036  -0.304   0.267  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.814   0.896  -0.585  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        5.699   0.256   0.187  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1        4.465  -0.000  -0.431  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.396  -0.580   0.278  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        3.586  -0.862   1.641  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.804  -0.596   2.269  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.855  -0.037   1.545  0.00  0.00    +0.003 A 
ENDBRANCH   1  10
BRANCH   2  14
ATOM     14  C   LIG    1        3.017  -2.294  -2.176  0.00  0.00    +0.103 C 
ATOM     15  N   LIG    1        3.869  -2.825  -2.758  0.00  0.00    -0.191 NA
ENDBRANCH   2  14
BRANCH   5  16
ATOM     16  N   LIG    1       -1.220   0.122   0.462  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1       -0.820   0.644   1.229  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.598   0.251   0.259  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -3.353   0.942   1.224  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -4.739   1.092   1.100  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1       -5.389   0.533   0.002  0.00  0.00    +0.105 A 
ATOM     22  C   LIG    1       -4.666  -0.152  -0.974  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -3.280  -0.295  -0.835  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  S   LIG    1       -7.142   0.709  -0.179  0.00  0.00    +0.056 S 
ATOM     25  O   LIG    1       -7.607   1.695   0.769  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1       -7.452   0.776  -1.587  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1       -7.691  -0.772   0.406  0.00  0.00    -0.204 NA
ATOM     28  H   LIG    1       -8.241  -0.608   1.251  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1       -6.942  -1.445   0.563  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   5  16
TORSDOF 6