REMARK  Name = BDB000119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.010  -1.373   0.221  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        2.228  -0.920  -0.198  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        2.885   0.190  -0.891  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1        4.295  -0.273  -0.903  0.00  0.00    -0.291 N 
ATOM      5  C   LIG    1        4.523  -1.558  -0.184  0.00  0.00    +0.165 C 
ATOM      6  C   LIG    1        5.251   0.499  -1.522  0.00  0.00    +0.221 C 
ATOM      7  O   LIG    1        4.947   1.558  -2.079  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        3.142  -1.895   0.192  0.00  0.00    +0.087 A 
ATOM      9  N   LIG    1        2.598  -2.930   0.821  0.00  0.00    -0.175 NA
ATOM     10  N   LIG    1        1.280  -2.588   0.830  0.00  0.00    -0.263 N 
ATOM     11  H   LIG    1        0.596  -3.211   1.253  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -1.372  -1.472   0.585  0.00  0.00    +0.249 C 
ATOM     13  N   LIG    1       -0.247  -0.817   0.109  0.00  0.00    -0.266 N 
ATOM     14  H   LIG    1       -0.336   0.060  -0.388  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1       -1.364  -2.588   1.101  0.00  0.00    -0.270 OA
BRANCH  12  19
ATOM     16  C   LIG    1       -5.165   0.545   0.077  0.00  0.00    -0.042 A 
ATOM     17  C   LIG    1       -3.985   1.280   0.287  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -2.748   0.643   0.456  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -2.663  -0.750   0.411  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -3.824  -1.500   0.224  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -5.056  -0.860   0.054  0.00  0.00    +0.005 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -6.493   2.758  -0.074  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -6.539   1.214  -0.112  0.00  0.00    -0.013 C 
ATOM     24  C   LIG    1       -7.130   0.810  -1.481  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -7.497   0.757   1.009  0.00  0.00    +0.015 C 
ENDBRANCH  16  23
ENDBRANCH  12  19
ENDBRANCH   1  13
BRANCH   6  26
ATOM     26  C   LIG    1        6.688  -0.001  -1.535  0.00  0.00    +0.138 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.382   0.238  -0.227  0.00  0.00    -0.001 A 
ATOM     28  S   LIG    1        7.558   1.826   0.397  0.00  0.00    -0.101 S 
ATOM     29  C   LIG    1        8.393   1.263   1.777  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        8.561  -0.102   1.759  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        7.987  -0.694   0.596  0.00  0.00    +0.011 A 
ENDBRANCH  26  27
ENDBRANCH   6  26
TORSDOF 5