REMARK  Name = BDB036456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.472   0.846   0.969  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.786   0.516   0.400  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.098   1.619  -0.370  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        2.260   1.751  -1.122  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        3.169   0.683  -1.077  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        2.868  -0.459  -0.308  0.00  0.00    +0.070 A 
ATOM      7  O   LIG    1        0.100   2.535  -0.270  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.676  -0.573   0.435  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1       -0.890   2.050   0.567  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.173   0.006   1.822  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.833  -0.948   1.933  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.780   0.206   2.234  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.877   1.451   2.967  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.189  -1.040   2.857  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.384  -0.666  -0.296  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.633   0.305   0.686  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.558   1.319   0.423  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -5.209   1.371  -0.816  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.918   0.435  -1.806  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.003  -0.582  -1.548  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.164  -2.936   0.060  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.488  -1.682  -0.075  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.948   2.209   1.385  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.418   3.512   1.130  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  N   LIG    1        4.373   0.819  -1.811  0.00  0.00    -0.285 N 
ATOM     26  H   LIG    1        4.190   1.068  -2.781  0.00  0.00    +0.155 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.514   0.122  -1.639  0.00  0.00    +0.197 A 
ATOM     28  N   LIG    1        6.036  -0.113  -0.393  0.00  0.00    -0.333 N 
ATOM     29  H   LIG    1        5.622   0.201   0.472  0.00  0.00    +0.168 HD
ATOM     30  C   LIG    1        7.210  -0.795  -0.549  0.00  0.00    +0.105 A 
ATOM     31  C   LIG    1        7.366  -0.915  -1.909  0.00  0.00    +0.132 A 
ATOM     32  N   LIG    1        6.318  -0.327  -2.573  0.00  0.00    -0.223 NA
ENDBRANCH  25  27
ENDBRANCH   5  25
BRANCH   8  33
ATOM     33  O   LIG    1        1.312  -1.654   1.192  0.00  0.00    -0.494 OA
ATOM     34  C   LIG    1        2.105  -2.830   1.069  0.00  0.00    +0.277 C 
ENDBRANCH   8  33
TORSDOF 8