REMARK  Name = BDB002669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.314  -0.411  -0.396  0.00  0.00    +0.171 C 
ATOM      2  N   LIG    1        0.829  -0.645  -0.399  0.00  0.00    -0.299 N 
ATOM      3  C   LIG    1        0.413  -2.006  -0.011  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        1.180  -3.055  -0.808  0.00  0.00    +0.123 C 
ATOM      5  N   LIG    1        2.606  -2.884  -0.686  0.00  0.00    -0.312 N 
ATOM      6  H   LIG    1        3.218  -3.623  -1.012  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1        3.175  -1.641  -0.782  0.00  0.00    +0.234 C 
ATOM      8  O   LIG    1        4.371  -1.552  -1.053  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.097   0.398  -0.631  0.00  0.00    +0.138 C 
ATOM     10  S   LIG    1        0.321   1.874  -1.321  0.00  0.00    -0.018 S 
BRANCH   9  11
ATOM     11  N   LIG    1       -1.368   0.094  -0.162  0.00  0.00    -0.297 N 
ATOM     12  H   LIG    1       -1.361  -0.377   0.733  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.633   0.595  -0.547  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1       -3.680   0.482   0.378  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -4.974   0.927   0.067  0.00  0.00    -0.049 A 
ATOM     16  C   LIG    1       -6.086   0.788   1.064  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -5.224   1.450  -1.205  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -4.195   1.540  -2.141  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -2.907   1.108  -1.815  0.00  0.00    +0.023 A 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   2   9
BRANCH   1  20
ATOM     20  C   LIG    1        2.747   0.073   0.991  0.00  0.00    +0.152 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.173   0.557   1.028  0.00  0.00    +0.309 C 
ATOM     22  O   LIG    1        4.978   0.209   1.883  0.00  0.00    -0.251 OA
BRANCH  21  24
ATOM     23  C   LIG    1        5.751   1.960   0.025  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1        4.409   1.474   0.054  0.00  0.00    -0.468 OA
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6