REMARK  Name = BDB032982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.524   0.361   0.210  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        0.707  -0.759   0.001  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.666  -0.753   0.318  0.00  0.00    -0.037 A 
ATOM      4  C   LIG    1       -1.466  -2.010   0.118  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -1.236   0.437   0.798  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.443   1.570   0.998  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        0.918   1.531   0.690  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.683   0.569   1.095  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1       -3.483   0.369  -0.005  0.00  0.00    -0.261 N 
ATOM     10  H   LIG    1       -3.070   0.202  -0.910  0.00  0.00    +0.157 HD
ATOM     11  O   LIG    1       -3.018   0.873   2.230  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.845   0.442   0.058  0.00  0.00    +0.167 A 
ATOM     13  S   LIG    1       -5.621   0.204  -1.448  0.00  0.00    -0.028 S 
ATOM     14  C   LIG    1       -7.119   0.409  -0.668  0.00  0.00    +0.185 A 
ATOM     15  C   LIG    1       -6.945   0.640   0.675  0.00  0.00    +0.153 A 
ATOM     16  N   LIG    1       -5.625   0.655   1.088  0.00  0.00    -0.231 NA
BRANCH  14  17
ATOM     17  N   LIG    1       -8.355   0.336  -1.377  0.00  0.00    +0.065 N 
ATOM     18  O   LIG    1       -8.318   0.112  -2.594  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1       -9.383   0.504  -0.709  0.00  0.00    -0.126 OA
ENDBRANCH  14  17
ENDBRANCH   9  12
ENDBRANCH   5   8
BRANCH   1  20
ATOM     20  N   LIG    1        2.873   0.417  -0.154  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1        3.370   1.120   0.388  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.630  -0.819  -0.328  0.00  0.00    +0.101 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.101  -0.515  -0.628  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1        7.341   0.201   0.279  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        5.871  -0.024   0.601  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7