REMARK  Name = BDB025502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.239  -0.168  -1.247  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1       -0.837  -0.033  -1.131  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        0.118  -0.113  -2.154  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        1.335   0.112  -1.565  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.716   0.142  -2.103  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        3.653   0.862  -1.113  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        3.480   0.307   0.274  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        2.109   0.598   0.839  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        1.058   0.306  -0.195  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1       -0.247   0.233   0.078  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -2.735  -0.326  -2.361  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -7.990  -0.551   1.034  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -6.671  -1.105   0.566  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -5.484  -0.339   0.618  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -5.529   0.989   1.085  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -6.248   1.117   1.792  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -4.256   1.575   1.467  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -3.270   1.425   0.327  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -3.002  -0.062   0.067  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -4.294  -0.877   0.080  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1       -4.279  -2.210  -0.373  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -5.439  -2.977  -0.368  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -6.630  -2.424   0.088  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   3  24
ATOM     24  N   LIG    1       -0.189  -0.378  -3.443  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1        0.467  -0.221  -4.202  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -1.172  -0.389  -3.740  0.00  0.00    +0.144 HD
ENDBRANCH   3  24
BRANCH   7  27
ATOM     27  S   LIG    1        4.711   0.747   1.384  0.00  0.00    +0.035 S 
ATOM     28  O   LIG    1        4.307   0.202   2.666  0.00  0.00    -0.158 OA
ATOM     29  O   LIG    1        4.881   2.180   1.240  0.00  0.00    -0.158 OA
BRANCH  27  30
ATOM     30  C   LIG    1        6.197  -0.112   0.866  0.00  0.00    +0.148 C 
ATOM     31  C   LIG    1        7.110   0.603  -0.159  0.00  0.00    +0.028 C 
ATOM     32  C   LIG    1        8.310   0.047   0.634  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        7.379  -0.007   1.861  0.00  0.00    +0.028 C 
ENDBRANCH  27  30
ENDBRANCH   7  27
TORSDOF 4