REMARK  Name = BDB003555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.189   1.098   0.475  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -2.221  -0.215   0.969  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.071  -0.824   1.504  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.125  -0.107   1.538  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.152   1.226   1.097  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.992   1.817   0.559  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.740   1.552  -1.470  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.391   1.708  -0.110  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -4.232   2.476   0.716  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -5.384   3.080   0.210  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.715   2.929  -1.133  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.896   2.171  -1.969  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -3.723  -0.922  -2.641  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1       -2.739   0.600  -2.618  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -1.266  -2.492   2.079  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -2.257  -3.088   1.194  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1       -1.519  -2.426   3.503  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1        0.209  -3.419   1.793  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        1.374  -0.639   2.100  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        2.477  -0.830   1.261  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1        3.662  -1.427   1.872  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        1.369  -0.891   3.300  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        2.380  -0.894  -0.207  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.565  -0.256  -0.883  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1        4.415  -0.963  -1.652  0.00  0.00    +0.075 A 
ATOM     26  C   LIG    1        5.563  -0.294  -2.315  0.00  0.00    +0.249 A 
ATOM     27  O   LIG    1        6.349  -0.927  -3.009  0.00  0.00    -0.268 OA
ATOM     28  N   LIG    1        5.675   1.057  -2.097  0.00  0.00    -0.329 N 
ATOM     29  H   LIG    1        6.458   1.513  -2.550  0.00  0.00    +0.168 HD
ATOM     30  C   LIG    1        4.808   1.779  -1.321  0.00  0.00    +0.086 A 
ATOM     31  C   LIG    1        3.775   1.174  -0.720  0.00  0.00    +0.023 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6