REMARK  Name = BDB002191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.117  -0.858  -0.164  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.265  -0.079   0.022  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -2.351  -0.922  -0.084  0.00  0.00    +0.155 A 
ATOM      4  C   LIG    1       -3.650  -0.474   0.050  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -3.842   0.885   0.301  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.741   1.753   0.410  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1       -1.995  -2.231  -0.332  0.00  0.00    -0.431 OA
ATOM      8  C   LIG    1       -1.433   1.272   0.271  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -0.601  -2.160  -0.377  0.00  0.00    +0.254 A 
ATOM     10  S   LIG    1        0.159  -3.611  -0.667  0.00  0.00    +0.010 S 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        2.332  -1.005  -0.291  0.00  0.00    +0.064 C 
ATOM     12  C   LIG    1        1.173  -0.354  -0.127  0.00  0.00    +0.099 C 
BRANCH  11  14
ATOM     13  C   LIG    1        3.773   1.134   0.031  0.00  0.00    +0.091 C 
ATOM     14  C   LIG    1        3.669  -0.346  -0.229  0.00  0.00    +0.154 C 
ATOM     15  O   LIG    1        4.674  -1.037  -0.394  0.00  0.00    -0.293 OA
ENDBRANCH  11  14
ENDBRANCH   1  12
TORSDOF 2