REMARK  Name = BDB064291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.028   0.251  -0.190  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.432   1.488   0.090  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        1.402   1.769   0.102  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -0.617   2.315   0.320  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -0.615   3.498   0.592  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.778   1.398   0.151  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -3.039   1.817   0.314  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -1.323   0.136  -0.166  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -4.257   1.002   0.184  0.00  0.00    -0.021 A 
ATOM     10  C   LIG    1       -4.388  -0.007  -0.783  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -5.589  -0.740  -0.898  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -6.647  -0.433  -0.039  0.00  0.00    +0.039 A 
ATOM     13  S   LIG    1       -7.978  -1.471  -0.392  0.00  0.00    -0.075 S 
ATOM     14  C   LIG    1       -7.057  -2.214  -1.629  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -6.548   0.580   0.926  0.00  0.00    +0.018 A 
ATOM     16  N   LIG    1       -5.839  -1.759  -1.806  0.00  0.00    -0.247 NA
ATOM     17  C   LIG    1       -5.344   1.290   1.016  0.00  0.00    +0.009 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        0.792  -0.793  -0.476  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1        0.275  -1.667  -0.511  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.212  -0.942  -0.143  0.00  0.00    +0.099 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.080   0.054  -0.942  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1        3.900   2.265  -1.070  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1        3.074   1.358  -0.345  0.00  0.00    -0.381 OA
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1        2.388  -0.926   1.389  0.00  0.00    +0.027 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.752  -1.349   1.976  0.00  0.00    -0.015 C 
ATOM     26  C   LIG    1        4.294  -2.643   1.374  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1        4.807  -0.244   1.926  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7