REMARK  Name = BDB025384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.000  -0.785  -0.687  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1       -0.983  -1.190   0.237  0.00  0.00    -0.201 N 
ATOM      3  C   LIG    1       -2.218  -0.622   0.476  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -2.763   0.599  -0.179  0.00  0.00    +0.165 C 
ATOM      5  N   LIG    1       -3.999   1.017   0.572  0.00  0.00    -0.175 NA
ATOM      6  C   LIG    1       -4.902  -0.139   0.915  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1       -4.207  -1.090   1.910  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1       -2.846  -1.408   1.417  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -1.923  -2.413   1.721  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -0.806  -2.298   1.013  0.00  0.00    -0.149 NA
ATOM     11  O   LIG    1       -0.256   0.142  -1.448  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        4.088   0.989  -0.358  0.00  0.00    -0.044 A 
ATOM     13  C   LIG    1        2.978   0.181  -0.077  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        2.491  -0.746  -1.020  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        1.286  -1.603  -0.666  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1        1.151  -2.797  -1.620  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1        1.368  -2.352  -3.059  0.00  0.00    +0.102 C 
ATOM     18  N   LIG    1        2.711  -1.817  -3.217  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1        2.915  -1.517  -4.168  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1        3.104  -0.852  -2.277  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1        4.237  -0.074  -2.538  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        4.716   0.845  -1.599  0.00  0.00    +0.006 A 
BRANCH  12  24
ATOM     23  C   LIG    1        3.576   3.061   0.985  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        4.621   1.995   0.647  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        5.127   1.305   1.917  0.00  0.00    +0.012 C 
ENDBRANCH  12  24
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  S   LIG    1       -4.776   2.346  -0.157  0.00  0.00    +0.029 S 
ATOM     27  O   LIG    1       -3.759   3.285  -0.580  0.00  0.00    -0.158 OA
ATOM     28  O   LIG    1       -5.756   1.828  -1.086  0.00  0.00    -0.158 OA
ATOM     29  C   LIG    1       -5.624   3.074   1.230  0.00  0.00    +0.215 C 
ENDBRANCH   5  26
BRANCH   9  30
ATOM     30  N   LIG    1       -2.129  -3.388   2.610  0.00  0.00    -0.341 N 
ATOM     31  H   LIG    1       -1.476  -4.164   2.600  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -3.062  -3.647   2.902  0.00  0.00    +0.144 HD
ENDBRANCH   9  30
TORSDOF 4