REMARK  Name = BDB002911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.256   1.511  -1.492  0.00  0.00    +0.184 C 
ATOM      2  N   LIG    1       -1.174   1.205  -0.171  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1       -1.936   0.626   0.174  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        0.121   0.940   0.385  0.00  0.00    +0.193 C 
ATOM      5  N   LIG    1        1.245   0.916  -0.539  0.00  0.00    -0.268 NA
ATOM      6  C   LIG    1        1.018   2.009  -1.484  0.00  0.00    +0.232 C 
ATOM      7  N   LIG    1       -0.254   1.915  -2.204  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -2.474   1.411  -2.077  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1       -2.521   1.663  -3.050  0.00  0.00    +0.158 HD
BRANCH   8  19
ATOM     10  C   LIG    1       -6.912   0.254  -3.162  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -5.815   0.223  -2.136  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -5.990  -0.370  -0.881  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -4.874  -0.320  -0.036  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1       -4.974  -0.895   1.239  0.00  0.00    -0.024 A 
ATOM     15  C   LIG    1       -6.164  -1.508   1.665  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -7.268  -1.556   0.825  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.793  -0.858   2.175  0.00  0.00    +0.046 C 
ATOM     18  N   LIG    1       -3.724   0.260  -0.416  0.00  0.00    -0.214 NA
ATOM     19  C   LIG    1       -3.644   0.811  -1.640  0.00  0.00    +0.222 A 
ATOM     20  C   LIG    1       -7.185  -0.991  -0.442  0.00  0.00    +0.012 A 
ATOM     21  N   LIG    1       -4.657   0.805  -2.514  0.00  0.00    -0.219 NA
ENDBRANCH   8  19
ENDBRANCH   1   8
BRANCH   5  22
ATOM     22  C   LIG    1        2.546   1.065   0.127  0.00  0.00    +0.089 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.911  -0.160   0.978  0.00  0.00    +0.031 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.279  -0.019   1.665  0.00  0.00    +0.086 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.409   0.175   0.747  0.00  0.00    -0.298 NA
ATOM     26  C   LIG    1        5.583  -0.972  -0.175  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1        7.022  -1.074  -0.704  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1        7.976  -1.326   0.338  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        7.583  -0.777   1.603  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1        6.669   0.451   1.474  0.00  0.00    +0.112 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6