REMARK  Name = BDB063884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.139  -3.480   0.738  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.182  -2.298   0.462  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.368  -1.418   0.287  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.617  -1.874   0.444  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.946  -0.143  -0.020  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.354  -0.217  -0.035  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.848  -1.445   0.236  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.806  -1.730   0.279  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.860  -1.096   0.313  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -4.006  -0.076  -0.640  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -5.236   0.601  -0.729  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.319   0.279   0.092  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -7.465   1.030  -0.111  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -7.250   1.903  -1.068  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -6.166  -0.757   1.032  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -5.695   1.887  -1.782  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -4.944  -1.436   1.129  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        1.128   0.862  -0.305  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1        0.581   1.713  -0.406  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.558   1.064  -0.199  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1        3.325   0.248  -1.244  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1        4.829   0.486  -1.135  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        5.342   0.231   0.281  0.00  0.00    +0.115 C 
ATOM     24  C   LIG    1        4.574   1.056   1.314  0.00  0.00    +0.033 C 
ATOM     25  C   LIG    1        3.069   0.820   1.224  0.00  0.00    +0.025 C 
BRANCH  23  26
ATOM     26  O   LIG    1        6.717   0.586   0.358  0.00  0.00    -0.392 OA
ATOM     27  H   LIG    1        7.205   0.029  -0.273  0.00  0.00    +0.210 HD
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4