REMARK  Name = BDB061108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.451   0.858   0.109  0.00  0.00    +0.124 A 
ATOM      2  N   LIG    1       -4.905  -0.396   0.158  0.00  0.00    -0.197 NA
ATOM      3  C   LIG    1       -3.966  -1.355   0.174  0.00  0.00    +0.272 A 
ATOM      4  N   LIG    1       -2.631  -1.208   0.143  0.00  0.00    -0.212 NA
ATOM      5  C   LIG    1       -2.202   0.068   0.093  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -3.092   1.133   0.081  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.737   0.249   0.062  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.102  -0.612   0.799  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.503  -0.451   0.782  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        2.576  -1.136   1.413  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        3.746  -0.526   1.026  0.00  0.00    +0.087 A 
ATOM     12  N   LIG    1        3.427   0.501   0.173  0.00  0.00    -0.347 N 
ATOM     13  C   LIG    1        2.057   0.576   0.015  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        1.256   1.448  -0.735  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -0.133   1.264  -0.698  0.00  0.00    +0.012 A 
BRANCH  12  16
ATOM     16  C   LIG    1        4.404   1.388  -0.439  0.00  0.00    +0.123 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.728   1.035  -1.891  0.00  0.00    +0.037 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.451  -0.309  -2.063  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  N   LIG    1        6.712  -0.403  -1.308  0.00  0.00    -0.308 NA
ATOM     20  C   LIG    1        7.763   0.438  -1.886  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        7.166  -1.797  -1.266  0.00  0.00    +0.104 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   5   7
BRANCH   3  22
ATOM     22  S   LIG    1       -4.575  -3.029   0.219  0.00  0.00    +0.029 S 
ATOM     23  O   LIG    1       -5.228  -3.248   1.501  0.00  0.00    -0.167 OA
ATOM     24  O   LIG    1       -5.270  -3.298  -1.030  0.00  0.00    -0.167 OA
ATOM     25  C   LIG    1       -3.110  -4.028   0.215  0.00  0.00    +0.204 C 
ENDBRANCH   3  22
BRANCH   1  26
ATOM     26  N   LIG    1       -5.341   1.944   0.132  0.00  0.00    -0.329 N 
ATOM     27  H   LIG    1       -5.129   2.568  -0.642  0.00  0.00    +0.147 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -6.768   1.618   0.177  0.00  0.00    +0.102 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -7.100   2.451   2.557  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -7.237   1.279   1.594  0.00  0.00    +0.015 C 
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 9