REMARK  Name = BDB015401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.138  -2.644   1.192  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.832  -2.045   0.123  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.922  -2.782  -0.940  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        0.317  -4.091  -0.605  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -0.424  -3.919   0.716  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        1.325  -0.777   0.252  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        1.595  -0.035  -1.000  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        2.336   1.288  -0.729  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.652   1.128  -0.070  0.00  0.00    -0.299 NA
ATOM     10  C   LIG    1        3.682  -0.108   0.748  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        2.305  -0.494   1.328  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.750   1.167  -1.043  0.00  0.00    +0.088 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.080   1.238  -0.347  0.00  0.00    +0.003 C 
ATOM     14  C   LIG    1        7.185   2.108  -0.895  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        6.499   2.487   0.388  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1       -0.758  -1.871   2.393  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -1.451  -2.895   3.154  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        0.052  -0.893   3.088  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1       -3.978   0.458   0.064  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -2.727   1.032   0.352  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -1.747   0.323   1.056  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1       -1.998  -0.985   1.469  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1       -3.238  -1.571   1.224  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -4.212  -0.856   0.521  0.00  0.00    +0.006 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.665   2.632  -1.155  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -5.078   1.212  -0.707  0.00  0.00    -0.013 C 
ATOM     27  C   LIG    1       -6.329   1.359   0.186  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -5.452   0.424  -1.981  0.00  0.00    +0.015 C 
ENDBRANCH  19  26
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 6