REMARK  Name = BDB063917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.016   0.112   3.599  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.944   0.172   2.389  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -2.029   0.074   1.378  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -3.312  -0.082   1.729  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -1.486   0.187   0.116  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.211   0.342   0.316  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.158   0.349   1.616  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.081   0.413   1.999  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -4.466  -0.176   0.820  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -4.390  -0.831  -0.419  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -5.545  -0.910  -1.219  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.765  -0.368  -0.812  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -7.814  -0.523  -1.704  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -7.391  -1.171  -2.765  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -6.834   0.271   0.441  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -5.744  -1.634  -2.771  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -5.689   0.355   1.243  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        0.666   0.484  -0.709  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        0.190   0.549  -1.606  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  CA  LIG    1        1.996   1.090  -0.703  0.00  0.00    +0.101 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.053   0.112  -0.111  0.00  0.00    +0.011 C 
ATOM     22  C   LIG    1        3.072  -1.215  -0.903  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        4.124  -2.190  -0.379  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1        5.511  -1.563  -0.360  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        5.516  -0.265   0.437  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        4.468   0.721  -0.075  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1        1.953   2.486  -0.042  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  O   LIG    1        2.981   3.327  -0.559  0.00  0.00    -0.393 OA
ATOM     29  H   LIG    1        2.862   4.206  -0.157  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 6