REMARK  Name = BDB002870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.804   1.816   1.719  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        1.247   0.540   1.423  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1        1.642  -0.546   2.208  0.00  0.00    +0.045 A 
ATOM      4  S   LIG    1        0.841  -1.966   1.663  0.00  0.00    -0.048 S 
ATOM      5  C   LIG    1        0.031  -1.063   0.439  0.00  0.00    +0.195 A 
ATOM      6  C   LIG    1        2.560  -0.421   3.265  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        3.093   0.838   3.536  0.00  0.00    +0.005 A 
ATOM      8  N   LIG    1        0.333   0.218   0.425  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        2.721   1.939   2.775  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.613   2.973   0.003  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        1.551   3.022   1.069  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   5  12
ATOM     12  N   LIG    1       -0.816  -1.739  -0.379  0.00  0.00    -0.215 NA
ATOM     13  C   LIG    1       -1.448  -1.021  -1.246  0.00  0.00    +0.186 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -2.356  -1.492  -2.176  0.00  0.00    -0.327 N 
ATOM     15  C   LIG    1       -2.759  -0.645  -3.288  0.00  0.00    +0.129 C 
ATOM     16  C   LIG    1       -2.482  -2.928  -2.388  0.00  0.00    +0.129 C 
ENDBRANCH  13  14
ENDBRANCH   5  12
TORSDOF 3