REMARK  Name = BDB060121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.369  -0.218  -0.378  0.00  0.00    -0.192 N 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        2.241  -0.206   0.702  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        0.924   0.218   0.478  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.010  -0.631  -0.121  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.363  -1.917  -0.511  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        1.673  -2.361  -0.308  0.00  0.00    -0.047 A 
ATOM      7  C   LIG    1        2.070  -3.760  -0.674  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        2.596  -1.502   0.306  0.00  0.00    +0.026 A 
BRANCH   2   9
ATOM      9  N   LIG    1        3.155   0.694   1.281  0.00  0.00    -0.314 N 
ATOM     10  H   LIG    1        2.716   1.456   1.787  0.00  0.00    +0.152 HD
BRANCH   9  13
ATOM     11  C   LIG    1        6.693   0.396   0.076  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1        5.297   0.288   0.119  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.552   0.820   1.177  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        5.247   1.458   2.213  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        6.638   1.571   2.183  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        7.362   1.040   1.115  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        8.691  -0.067  -1.129  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        7.276  -0.166  -1.028  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   9  13
ENDBRANCH   2   9
ENDBRANCH   1   4
BRANCH   1  19
ATOM     19  S   LIG    1       -2.315  -0.078   1.046  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1       -1.980   1.198   1.638  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.214  -1.299   1.817  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.005  -0.017   0.407  0.00  0.00    +0.115 A 
ATOM     23  C   LIG    1       -4.888   1.016   0.805  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -4.586   2.029   1.879  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1       -6.142   1.118   0.173  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -6.552   0.196  -0.791  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1       -7.883   0.343  -1.468  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -5.694  -0.849  -1.134  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -4.432  -0.994  -0.528  0.00  0.00    -0.023 A 
ATOM     30  C   LIG    1       -3.613  -2.188  -0.947  0.00  0.00    +0.046 C 
ENDBRANCH  19  22
ENDBRANCH   1  19
BRANCH   1  31
ATOM     31  C   LIG    1       -1.516   0.826  -1.424  0.00  0.00    +0.251 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -1.570   2.281  -1.019  0.00  0.00    +0.324 C 
ATOM     33  O   LIG    1       -0.592   2.941  -0.698  0.00  0.00    -0.249 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -2.808   2.830  -1.079  0.00  0.00    -0.479 OA
ATOM     35  H   LIG    1       -3.539   2.227  -1.319  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   1  31
TORSDOF 9