REMARK  Name = BDB032922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.120   1.893  -1.757  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -0.624   1.151  -0.906  0.00  0.00    +0.221 C 
ATOM      3  N   LIG    1        0.010   0.022  -0.389  0.00  0.00    -0.250 N 
ATOM      4  C   LIG    1       -0.680  -1.237  -0.048  0.00  0.00    +0.115 C 
ATOM      5  C   LIG    1       -2.179  -1.334  -0.304  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -2.998  -0.523   0.692  0.00  0.00    +0.002 C 
ATOM      7  C   LIG    1       -2.473   0.893   0.882  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -2.031   1.502  -0.437  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1        1.409   0.149  -0.280  0.00  0.00    +0.169 A 
ATOM     10  S   LIG    1        2.353  -1.241   0.114  0.00  0.00    -0.028 S 
ATOM     11  C   LIG    1        3.757  -0.292   0.064  0.00  0.00    +0.185 A 
ATOM     12  C   LIG    1        3.453   1.016  -0.214  0.00  0.00    +0.153 A 
ATOM     13  N   LIG    1        2.105   1.262  -0.387  0.00  0.00    -0.230 NA
BRANCH  11  14
ATOM     14  N   LIG    1        5.052  -0.843   0.299  0.00  0.00    +0.065 N 
ATOM     15  O   LIG    1        6.004  -0.053   0.251  0.00  0.00    -0.126 OA
ATOM     16  O   LIG    1        5.136  -2.055   0.535  0.00  0.00    -0.126 OA
ENDBRANCH  11  14
ENDBRANCH   3   9
TORSDOF 2