REMARK  Name = BDB025453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.722  -0.223   0.163  0.00  0.00    -0.160 NA
ATOM      2  C   LIG    1        2.789  -0.165   1.342  0.00  0.00    +0.168 C 
ATOM      3  C   LIG    1        1.377  -0.364   0.872  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        0.312  -0.164   1.643  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.773  -0.387   0.826  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1       -0.346  -0.946  -0.397  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -2.049   0.001   1.313  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -2.172   0.284   2.504  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.027  -0.852  -0.402  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        2.056  -1.196  -1.418  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        3.427  -1.386  -0.741  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -3.163   0.107   0.283  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -4.572   0.093   0.880  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -5.572   0.939   0.361  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -6.849   0.918   0.938  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -7.167   0.016   1.954  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -6.201  -0.867   2.419  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -5.298   1.893  -0.630  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -6.125   2.139  -1.168  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -4.118   1.652  -1.439  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -4.914  -0.832   1.884  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.928   1.384  -0.539  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  23
ATOM     23  S   LIG    1        5.334  -0.107   0.645  0.00  0.00    +0.099 S 
ATOM     24  O   LIG    1        5.762  -1.421   1.062  0.00  0.00    -0.141 OA
ATOM     25  O   LIG    1        5.483   1.043   1.505  0.00  0.00    -0.141 OA
BRANCH  23  27
ATOM     26  C   LIG    1        5.683   1.574  -1.403  0.00  0.00    +0.132 C 
ATOM     27  N   LIG    1        6.064   0.258  -0.842  0.00  0.00    -0.172 NA
ATOM     28  C   LIG    1        7.533   0.085  -0.823  0.00  0.00    +0.132 C 
ENDBRANCH  23  27
ENDBRANCH   1  23
BRANCH   6  29
ATOM     29  N   LIG    1       -1.143  -1.474  -1.366  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -0.668  -1.891  -2.168  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -1.880  -2.119  -1.075  0.00  0.00    +0.144 HD
ENDBRANCH   6  29
TORSDOF 4