REMARK  Name = BDB063883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.213  -2.066   2.775  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.183  -1.463   1.721  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.312  -0.917   0.921  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.584  -1.028   1.324  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.814  -0.309  -0.212  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.476  -0.455  -0.126  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.895  -1.114   0.976  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.833  -1.365   1.224  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.774  -0.516   0.626  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.851  -0.058   1.403  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.011   0.405   0.755  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.128   0.410  -0.636  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.329   0.893  -1.131  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.102   1.247  -0.130  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.049  -0.067  -1.404  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.463   1.029   1.443  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.889  -0.529  -0.767  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.321   0.019  -1.077  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.819   0.566  -1.773  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.727   0.366  -0.955  0.00  0.00    +0.075 C 
ATOM     21  C   LIG    1       -3.621  -0.878  -0.875  0.00  0.00    +0.053 C 
ATOM     22  C   LIG    1       -4.821  -0.688   0.056  0.00  0.00    +0.116 C 
ATOM     23  C   LIG    1       -5.426   0.703  -0.097  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -4.429   1.813   0.239  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -2.968   1.363   0.181  0.00  0.00    +0.022 C 
BRANCH  22  26
ATOM     26  O   LIG    1       -5.792  -1.680  -0.251  0.00  0.00    -0.392 OA
ATOM     27  H   LIG    1       -6.548  -1.558   0.349  0.00  0.00    +0.210 HD
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4