REMARK  Name = BDB003848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.376   1.267   1.632  0.00  0.00    -0.307 N 
ATOM      2  C   LIG    1       -1.312   0.210   1.935  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -2.042   0.560   0.625  0.00  0.00    +0.087 C 
ATOM      4  C   LIG    1       -3.589   0.561   0.642  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1       -4.322   1.066   1.485  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -4.023  -0.142  -0.452  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1       -3.000  -0.718  -1.167  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1       -3.122  -1.464  -2.127  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -1.674  -0.283  -0.592  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1       -1.321   1.912   0.753  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        5.487   0.233   0.244  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        4.602  -0.093   1.285  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        3.276   0.366   1.207  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1        2.820   1.129   0.134  0.00  0.00    +0.080 A 
ATOM     15  N   LIG    1        1.491   1.504   0.197  0.00  0.00    -0.225 NA
ATOM     16  C   LIG    1        0.925   1.044   1.291  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1        3.720   1.448  -0.902  0.00  0.00    +0.030 A 
ATOM     18  S   LIG    1        1.981   0.133   2.311  0.00  0.00    -0.052 S 
ATOM     19  C   LIG    1        5.046   0.998  -0.840  0.00  0.00    +0.017 A 
BRANCH  11  20
ATOM     20  C   LIG    1        6.888  -0.265   0.349  0.00  0.00    +0.339 C 
ATOM     21  O   LIG    1        7.289  -0.942   1.281  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        7.618   0.136  -0.721  0.00  0.00    -0.461 OA
BRANCH  22  24
ATOM     23  C   LIG    1        9.113  -1.658  -1.361  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1        8.991  -0.283  -0.731  0.00  0.00    +0.229 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  11  20
ENDBRANCH   1  16
BRANCH   6  25
ATOM     25  C   LIG    1       -5.416  -0.498  -0.695  0.00  0.00    +0.170 C 
ATOM     26  C   LIG    1       -5.846  -1.556   0.327  0.00  0.00    +0.240 C 
ATOM     27  O   LIG    1       -5.055  -2.274   0.938  0.00  0.00    -0.273 OA
ATOM     28  N   LIG    1       -7.204  -1.709   0.490  0.00  0.00    -0.255 N 
ATOM     29  H   LIG    1       -7.493  -2.412   1.158  0.00  0.00    +0.158 HD
ATOM     30  C   LIG    1       -8.206  -0.913  -0.009  0.00  0.00    +0.219 C 
ATOM     31  O   LIG    1       -9.379  -1.111   0.289  0.00  0.00    -0.275 OA
ATOM     32  C   LIG    1       -7.791   0.167  -0.983  0.00  0.00    +0.098 C 
ATOM     33  C   LIG    1       -6.390   0.678  -0.681  0.00  0.00    +0.041 C 
ENDBRANCH   6  25
TORSDOF 5