REMARK  Name = BDB015367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.241  -2.419   0.435  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.423  -1.262   0.889  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.362  -1.073   2.170  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -0.462  -2.168   2.729  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -0.673  -3.188   1.616  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        1.083  -0.461   0.000  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        1.568   0.845   0.493  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        2.398   1.587  -0.573  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.597   0.854  -1.045  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        3.388  -0.613  -0.928  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        1.913  -1.041  -1.076  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.779   1.242  -0.261  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        5.270   2.646  -0.710  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        6.702   2.071  -0.654  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        6.068   0.691  -0.930  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1       -0.681  -1.894  -2.065  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1       -1.293  -2.474  -0.889  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -1.847  -3.814  -0.955  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -2.607  -1.381  -0.387  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1       -3.796  -1.902   0.125  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -4.821  -1.030   0.501  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.693   0.363   0.357  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1       -3.487   0.855  -0.174  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -2.453  -0.004  -0.555  0.00  0.00    +0.029 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.800   1.299   0.780  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -7.193   1.127   0.220  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -6.363   2.299  -0.203  0.00  0.00    +0.009 C 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5