REMARK  Name = BDB025394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.013  -0.424   0.729  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1        1.308  -0.915   0.767  0.00  0.00    -0.201 N 
ATOM      3  C   LIG    1        2.471  -0.206   0.986  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        2.574   1.259   1.205  0.00  0.00    +0.165 C 
ATOM      5  N   LIG    1        4.020   1.661   1.184  0.00  0.00    -0.175 NA
ATOM      6  C   LIG    1        4.933   0.676   1.863  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        4.914  -0.700   1.171  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1        3.506  -1.117   0.964  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.894  -2.349   0.716  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        1.575  -2.242   0.601  0.00  0.00    -0.149 NA
ATOM     11  O   LIG    1       -0.201   0.768   0.957  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -3.164   0.468  -2.134  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1       -2.086  -0.081  -1.434  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -2.289  -0.891  -0.300  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1       -1.081  -1.469   0.435  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -1.478  -2.108   1.771  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1       -2.742  -2.923   1.594  0.00  0.00    +0.102 C 
ATOM     18  N   LIG    1       -3.835  -2.042   1.216  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -4.725  -2.528   1.150  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -3.603  -1.223   0.094  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.691  -0.617  -0.571  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1       -6.113  -0.850  -0.132  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1       -4.460   0.208  -1.684  0.00  0.00    +0.008 A 
BRANCH  12  25
ATOM     24  C   LIG    1       -2.741   2.815  -2.910  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -2.928   1.363  -3.323  0.00  0.00    +0.032 C 
ENDBRANCH  12  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  S   LIG    1        4.593   2.309  -0.276  0.00  0.00    +0.029 S 
ATOM     27  O   LIG    1        6.022   2.502  -0.146  0.00  0.00    -0.158 OA
ATOM     28  O   LIG    1        4.044   1.535  -1.368  0.00  0.00    -0.158 OA
ATOM     29  C   LIG    1        3.837   3.922  -0.276  0.00  0.00    +0.215 C 
ENDBRANCH   5  26
BRANCH   9  30
ATOM     30  N   LIG    1        3.550  -3.509   0.601  0.00  0.00    -0.341 N 
ATOM     31  H   LIG    1        3.025  -4.272   0.186  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        4.520  -3.503   0.306  0.00  0.00    +0.144 HD
ENDBRANCH   9  30
TORSDOF 4