REMARK  Name = BDB015634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.275  -2.383  -0.103  0.00  0.00    +0.328 A 
ATOM      2  N   LIG    1       -0.966  -1.245  -0.066  0.00  0.00    -0.175 NA
ATOM      3  C   LIG    1       -0.257  -0.166   0.260  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1        1.050  -0.172   0.508  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1        1.599  -1.373   0.479  0.00  0.00    +0.241 A 
ATOM      6  N   LIG    1        1.027  -2.505   0.117  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.961   1.144   0.331  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -2.259   1.227  -0.023  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -2.967   2.418   0.014  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.364   2.401  -0.394  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.392   3.623   0.415  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -2.986   4.698   0.444  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -0.954   3.550   0.829  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -0.320   4.823   1.289  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.313   2.371   0.778  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        2.990  -1.467   0.568  0.00  0.00    -0.188 N 
ATOM     17  H   LIG    1        3.297  -2.436   0.527  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.718  -0.654   1.822  0.00  0.00    +0.046 S 
ATOM     19  O   LIG    1        4.990  -1.317   2.027  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.785  -0.531   2.922  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.048   0.978   1.153  0.00  0.00    +0.191 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.206   1.057   0.150  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.884   0.395  -1.189  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        5.567   2.527  -0.087  0.00  0.00    +0.009 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  25
ATOM     25  O   LIG    1       -0.912  -3.554  -0.496  0.00  0.00    -0.420 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -2.457  -3.805  -2.873  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -3.076  -3.718  -1.508  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -2.281  -3.572  -0.362  0.00  0.00    +0.170 A 
ATOM     29  C   LIG    1       -2.873  -3.515   0.903  0.00  0.00    +0.166 A 
ATOM     30  F   LIG    1       -2.111  -3.419   2.002  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -4.255  -3.563   1.044  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.056  -3.682  -0.090  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -4.471  -3.761  -1.358  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 7