REMARK  Name = BDB032637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.954   1.115   0.257  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1        0.359   0.867  -0.085  0.00  0.00    +0.251 A 
ATOM      3  O   LIG    1        0.498  -0.440  -0.421  0.00  0.00    -0.337 OA
ATOM      4  N   LIG    1       -0.717  -1.079  -0.316  0.00  0.00    -0.075 NA
ATOM      5  C   LIG    1       -1.592  -0.153   0.105  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -2.979  -0.530   0.344  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -3.749  -1.059  -0.699  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -5.082  -1.429  -0.483  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -5.654  -1.280   0.781  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -4.881  -0.765   1.825  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -3.549  -0.395   1.613  0.00  0.00    +0.014 A 
BRANCH   9  12
ATOM     12  O   LIG    1       -6.938  -1.599   1.126  0.00  0.00    -0.495 OA
ATOM     13  C   LIG    1       -7.758  -2.158   0.107  0.00  0.00    +0.277 C 
ENDBRANCH   9  12
ENDBRANCH   5   6
BRANCH   1  14
ATOM     14  C   LIG    1       -1.463   2.408   0.642  0.00  0.00    +0.346 C 
ATOM     15  O   LIG    1       -0.730   3.375   0.827  0.00  0.00    -0.245 OA
BRANCH  14  17
ATOM     16  C   LIG    1       -3.348   3.725   1.116  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1       -2.818   2.448   0.758  0.00  0.00    -0.464 OA
ENDBRANCH  14  17
ENDBRANCH   1  14
BRANCH   2  18
ATOM     18  N   LIG    1        1.452   1.829  -0.055  0.00  0.00    -0.183 N 
ATOM     19  H   LIG    1        1.212   2.777   0.256  0.00  0.00    +0.177 HD
BRANCH  18  20
ATOM     20  S   LIG    1        2.422   1.857  -1.431  0.00  0.00    +0.075 S 
ATOM     21  O   LIG    1        2.884   3.223  -1.563  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1        1.752   1.196  -2.530  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.803   0.868  -0.918  0.00  0.00    +0.109 A 
ATOM     24  C   LIG    1        3.820  -0.498  -1.210  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1        4.915  -1.289  -0.827  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1        4.905  -2.760  -1.145  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        6.000  -0.689  -0.154  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1        7.197  -1.494   0.274  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        5.970   0.690   0.115  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.879   1.470  -0.268  0.00  0.00    +0.029 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7