REMARK  Name = BDB062635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.995  -1.380  -2.836  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1       -0.887  -2.780  -2.490  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.571  -0.995  -4.112  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -1.899  -0.899  -0.235  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -1.884  -0.487  -1.573  0.00  0.00    +0.150 A 
ATOM      6  C   LIG    1       -2.607   0.651  -1.980  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -3.339   1.422  -1.068  0.00  0.00    -0.042 A 
ATOM      8  C   LIG    1       -3.344   0.996   0.266  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -2.638  -0.141   0.678  0.00  0.00    +0.048 A 
BRANCH   7  10
ATOM     10  C   LIG    1       -4.121   2.634  -1.510  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1       -3.431   3.750  -2.261  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1       -3.882   3.972  -0.850  0.00  0.00    +0.009 C 
ENDBRANCH   7  10
BRANCH   4  14
ATOM     13  C   LIG    1       -1.158  -2.407   1.469  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -1.182  -2.006   0.106  0.00  0.00    -0.493 OA
ENDBRANCH   4  14
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  N   LIG    1        0.538  -0.660  -2.823  0.00  0.00    -0.216 N 
ATOM     16  H   LIG    1        0.571   0.165  -3.418  0.00  0.00    +0.174 HD
BRANCH  15  17
ATOM     17  C   LIG    1        1.296  -0.654  -1.623  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1        1.787  -1.842  -1.091  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        2.485  -1.788   0.109  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1        3.053  -2.956   0.850  0.00  0.00    +0.056 C 
ATOM     21  C   LIG    1        3.757  -2.269   2.018  0.00  0.00    +0.118 C 
ATOM     22  N   LIG    1        3.417  -0.838   1.973  0.00  0.00    -0.271 N 
ATOM     23  C   LIG    1        3.855  -0.020   2.991  0.00  0.00    +0.217 C 
ATOM     24  O   LIG    1        4.527  -0.466   3.928  0.00  0.00    -0.276 OA
ATOM     25  C   LIG    1        3.507   1.441   2.977  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        2.697  -0.585   0.791  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        2.214   0.598   0.255  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1        1.511   0.559  -0.958  0.00  0.00    +0.026 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 5