REMARK  Name = BDB015389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.186  -0.179   1.247  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.072  -0.469   1.820  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.030  -1.255   2.851  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -1.384  -1.643   3.038  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -2.219  -0.736   2.145  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        1.209   0.070   1.286  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        2.401   0.126   2.160  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        3.638   0.623   1.389  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        4.044  -0.286   0.285  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        2.851  -0.954  -0.294  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        1.531  -0.170  -0.136  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.745   0.491  -0.749  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        5.543  -0.467  -1.676  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        6.702   0.549  -1.589  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        6.127   0.961  -0.217  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1       -1.596   1.296   0.523  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -0.676   1.639  -0.540  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -1.916   2.244   1.572  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1       -4.255  -1.270  -3.218  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -4.274  -0.322  -2.056  0.00  0.00    -0.048 A 
ATOM     21  C   LIG    1       -3.089   0.013  -1.394  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -3.127   0.880  -0.297  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1       -4.335   1.423   0.150  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -5.530   1.071  -0.486  0.00  0.00    -0.048 A 
ATOM     25  C   LIG    1       -6.833   1.664  -0.037  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.489   0.203  -1.589  0.00  0.00    +0.006 A 
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 4