REMARK  Name = BDB025503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.164  -1.482   0.413  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1       -0.863  -1.144  -0.022  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -0.057  -1.847  -0.930  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        1.134  -1.172  -0.994  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.380  -1.412  -1.764  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        3.216  -0.119  -1.827  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        3.372   0.470  -0.451  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        2.058   0.958   0.114  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        0.993  -0.078  -0.114  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1       -0.208  -0.044   0.467  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -2.666  -2.539   0.028  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -7.550   1.076   0.170  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -6.052   1.153   0.031  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -5.198   0.255   0.713  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -5.744  -0.677   1.612  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -6.664  -0.992   1.319  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -4.887  -1.775   2.027  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -3.538  -1.243   2.481  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -2.835  -0.481   1.348  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -3.801   0.422   0.597  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1       -3.283   1.435  -0.230  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.131   2.283  -0.932  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.508   2.144  -0.801  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   3  24
ATOM     24  N   LIG    1       -0.459  -2.962  -1.582  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -1.336  -3.417  -1.308  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        0.203  -3.588  -2.031  0.00  0.00    +0.144 HD
ENDBRANCH   3  24
BRANCH   7  27
ATOM     27  S   LIG    1        4.588   1.672  -0.319  0.00  0.00    +0.035 S 
ATOM     28  O   LIG    1        4.529   2.158   1.045  0.00  0.00    -0.158 OA
ATOM     29  O   LIG    1        4.357   2.590  -1.418  0.00  0.00    -0.158 OA
BRANCH  27  30
ATOM     30  C   LIG    1        6.148   0.831  -0.581  0.00  0.00    +0.148 C 
ATOM     31  C   LIG    1        7.404   1.582  -0.081  0.00  0.00    +0.028 C 
ATOM     32  C   LIG    1        7.959   0.208   0.349  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        6.496  -0.273   0.445  0.00  0.00    +0.028 C 
ENDBRANCH  27  30
ENDBRANCH   7  27
TORSDOF 4