REMARK  Name = BDB003138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.586   0.974   1.625  0.00  0.00    +0.228 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.773   0.843   0.951  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.356  -0.413   1.112  0.00  0.00    -0.206 N 
ATOM      4  H   LIG    1        0.955  -1.029   1.827  0.00  0.00    +0.177 HD
ATOM      5  O   LIG    1        1.279   1.797   0.359  0.00  0.00    -0.272 OA
BRANCH   3   6
ATOM      6  N   LIG    1        2.636  -0.751   0.753  0.00  0.00    -0.188 NA
ATOM      7  C   LIG    1        3.135  -0.220  -0.318  0.00  0.00    +0.138 C 
BRANCH   7   8
ATOM      8  C   LIG    1        4.524  -0.498  -0.743  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1        5.003   0.108  -1.907  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        6.310  -0.148  -2.319  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1        6.970   0.664  -3.894  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        7.137  -0.996  -1.582  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        6.654  -1.597  -0.419  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        5.347  -1.349   0.003  0.00  0.00    +0.009 A 
ENDBRANCH   7   8
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  N   LIG    1       -1.526  -0.067   1.116  0.00  0.00    -0.199 N 
BRANCH  15  20
ATOM     16  C   LIG    1       -5.759   2.127  -2.082  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -4.679   1.522  -1.234  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1       -4.778   1.546   0.162  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.757   1.016   0.956  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -2.635   0.442   0.357  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1       -2.508   0.458  -1.033  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -3.528   0.990  -1.825  0.00  0.00    +0.005 A 
ENDBRANCH  15  20
BRANCH  15  23
ATOM     23  S   LIG    1       -1.825  -1.330   2.206  0.00  0.00    +0.043 S 
ATOM     24  O   LIG    1       -2.818  -0.909   3.170  0.00  0.00    -0.155 OA
ATOM     25  O   LIG    1       -0.521  -1.783   2.655  0.00  0.00    -0.155 OA
ATOM     26  C   LIG    1       -2.513  -2.598   1.158  0.00  0.00    +0.218 C 
ENDBRANCH  15  23
ENDBRANCH   1  15
TORSDOF 6