REMARK  Name = BDB063909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.251   0.489   0.803  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -1.523   0.383   2.123  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -2.387   0.630   2.581  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -0.397   0.001   2.776  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -0.226  -0.168   3.966  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.581  -0.137   1.662  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        1.850  -0.508   1.878  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -0.030   0.195   0.471  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        2.906  -0.658   0.865  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.224  -0.336   1.229  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.253  -0.505   0.285  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.005  -0.995  -0.999  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.117  -1.109  -1.818  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.183  -0.709  -1.164  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        3.683  -1.331  -1.347  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.939  -0.183   0.446  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        2.652  -1.165  -0.413  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -2.190   0.887  -0.095  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -1.846   0.830  -1.050  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  CA  LIG    1       -3.631   0.696   0.075  0.00  0.00    +0.098 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -3.874  -1.014  -1.796  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -4.288   0.355  -1.271  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
BRANCH  20  23
ATOM     23  C   LIG    1       -4.250   1.980   0.660  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -3.641   2.307   1.910  0.00  0.00    -0.393 OA
ATOM     25  H   LIG    1       -2.761   2.666   1.680  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6