REMARK  Name = BDB059467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.682   0.387   0.746  0.00  0.00    -0.246 N 
ATOM      2  C   LIG    1       -1.325   1.444  -0.042  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1        0.038   1.326  -0.245  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        0.638   2.334  -1.009  0.00  0.00    +0.055 A 
ATOM      5  N   LIG    1       -0.166   3.312  -1.519  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1       -1.485   3.291  -1.274  0.00  0.00    +0.215 A 
ATOM      7  C   LIG    1        2.098   2.433  -1.327  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1        0.407   0.139   0.458  0.00  0.00    +0.104 A 
ATOM      9  N   LIG    1       -2.135   2.401  -0.522  0.00  0.00    -0.195 NA
ATOM     10  N   LIG    1       -0.647  -0.408   1.087  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.720  -0.488   0.564  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.403  -0.887  -0.600  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        3.663  -1.483  -0.456  0.00  0.00    +0.112 A 
ATOM     14  C   LIG    1        4.180  -1.669   0.816  0.00  0.00    +0.157 A 
ATOM     15  O   LIG    1        5.403  -2.260   0.682  0.00  0.00    -0.425 OA
ATOM     16  C   LIG    1        5.545  -2.406  -0.665  0.00  0.00    +0.286 A 
ATOM     17  C   LIG    1        3.540  -1.309   1.993  0.00  0.00    +0.049 A 
ATOM     18  N   LIG    1        4.551  -1.949  -1.391  0.00  0.00    -0.196 NA
ATOM     19  C   LIG    1        2.282  -0.711   1.836  0.00  0.00    +0.014 A 
BRANCH  16  20
ATOM     20  N   LIG    1        6.682  -2.966  -1.080  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        7.464  -2.925  -0.438  0.00  0.00    +0.147 HD
ATOM     22  H   LIG    1        6.930  -2.782  -2.045  0.00  0.00    +0.147 HD
ENDBRANCH  16  20
ENDBRANCH   8  11
BRANCH   6  23
ATOM     23  N   LIG    1       -2.228   4.322  -1.813  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1       -3.052   4.484  -1.253  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -1.624   5.112  -1.994  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
BRANCH   1  26
ATOM     26  C   LIG    1       -3.018   0.077   1.220  0.00  0.00    +0.146 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.751  -0.870   0.272  0.00  0.00    +0.023 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -5.334  -1.867   2.005  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -5.201  -1.128   0.682  0.00  0.00    -0.002 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 6