REMARK  Name = BDB025403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.596  -0.755  -0.592  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.794  -0.805  -0.347  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.613  -1.940  -0.289  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.890  -1.486  -0.079  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        4.189  -2.187   0.068  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        5.216  -1.256   0.741  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        5.238   0.083   0.053  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        3.943   0.839   0.234  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.781  -0.081  -0.013  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.523   0.342  -0.160  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -1.195  -1.795  -0.857  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -4.365  -0.151   1.489  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1       -3.041  -0.131   1.039  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -2.657   0.649  -0.068  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1       -1.206   0.640  -0.542  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -1.088   1.236  -1.950  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1       -1.851   2.541  -2.008  0.00  0.00    +0.102 C 
ATOM     18  N   LIG    1       -3.268   2.318  -1.770  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -3.772   2.027  -2.606  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -3.611   1.473  -0.698  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.952   1.440  -0.261  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1       -6.004   2.292  -0.921  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1       -5.316   0.625   0.822  0.00  0.00    +0.008 A 
BRANCH  12  25
ATOM     24  C   LIG    1       -5.141  -2.428   2.197  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -4.766  -1.025   2.650  0.00  0.00    +0.032 C 
ENDBRANCH  12  25
ENDBRANCH   1  15
BRANCH   7  26
ATOM     26  S   LIG    1        6.586   1.057   0.407  0.00  0.00    +0.029 S 
ATOM     27  O   LIG    1        6.365   2.354  -0.196  0.00  0.00    -0.158 OA
ATOM     28  O   LIG    1        6.864   0.923   1.820  0.00  0.00    -0.158 OA
ATOM     29  C   LIG    1        7.877   0.250  -0.517  0.00  0.00    +0.215 C 
ENDBRANCH   7  26
BRANCH   3  30
ATOM     30  N   LIG    1        1.150  -3.205  -0.416  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        0.184  -3.355  -0.732  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        1.769  -3.978  -0.640  0.00  0.00    +0.144 HD
ENDBRANCH   3  30
TORSDOF 4