REMARK  Name = BDB015382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.327  -1.439  -1.356  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.212  -0.298  -0.735  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -0.117   0.790  -1.429  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        0.599   0.442  -2.678  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1        0.722  -1.078  -2.726  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -0.791  -0.425   0.497  0.00  0.00    -0.302 N 
ATOM      7  C   LIG    1       -1.006   0.782   1.305  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -2.360   1.413   0.993  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -3.493   0.390   1.200  0.00  0.00    +0.060 C 
ATOM     10  C   LIG    1       -3.208  -0.882   0.378  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -1.825  -1.446   0.713  0.00  0.00    +0.109 C 
BRANCH   9  12
ATOM     12  N   LIG    1       -4.821   0.995   0.987  0.00  0.00    -0.295 NA
ATOM     13  C   LIG    1       -5.952   0.139   1.398  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1       -6.790  -0.378   0.217  0.00  0.00    +0.175 C 
ATOM     15  O   LIG    1       -7.339   0.669  -0.592  0.00  0.00    -0.377 OA
ATOM     16  C   LIG    1       -6.543   1.862  -0.587  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1       -5.050   1.588  -0.344  0.00  0.00    +0.113 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  18
ATOM     18  S   LIG    1        1.292  -2.596  -0.589  0.00  0.00    +0.077 S 
ATOM     19  O   LIG    1        0.711  -3.013   0.670  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1        1.650  -3.592  -1.582  0.00  0.00    -0.150 OA
BRANCH  18  24
ATOM     21  C   LIG    1        5.091  -0.242   0.438  0.00  0.00    -0.045 A 
ATOM     22  C   LIG    1        5.061  -1.093  -0.679  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.907  -1.813  -0.999  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        2.768  -1.675  -0.204  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1        2.785  -0.853   0.924  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1        3.941  -0.135   1.237  0.00  0.00    +0.006 A 
BRANCH  21  28
ATOM     27  C   LIG    1        7.507  -0.375   1.147  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1        6.336   0.548   0.803  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        6.722   1.532  -0.305  0.00  0.00    +0.012 C 
ENDBRANCH  21  28
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 5