REMARK  Name = BDB059471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.532  -2.733  -0.112  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -3.215  -2.011  -0.134  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -2.100  -2.808  -0.319  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -2.184  -3.807  -0.425  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1       -0.806  -2.321  -0.367  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1        0.154  -3.064  -0.535  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -0.738  -0.895  -0.206  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        0.290   0.076  -0.159  0.00  0.00    +0.107 A 
ATOM      9  N   LIG    1       -0.233   1.298   0.059  0.00  0.00    -0.168 NA
ATOM     10  N   LIG    1       -1.570   1.102   0.128  0.00  0.00    -0.243 N 
ATOM     11  C   LIG    1       -1.919  -0.211  -0.023  0.00  0.00    +0.166 A 
ATOM     12  N   LIG    1       -3.176  -0.720   0.016  0.00  0.00    -0.215 NA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        1.738  -0.087  -0.292  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        2.592   0.641   0.564  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        3.976   0.482   0.426  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1        4.460  -0.373  -0.549  0.00  0.00    +0.157 A 
ATOM     17  O   LIG    1        5.822  -0.351  -0.483  0.00  0.00    -0.425 OA
ATOM     18  C   LIG    1        6.080   0.512   0.540  0.00  0.00    +0.286 A 
ATOM     19  C   LIG    1        3.669  -1.103  -1.425  0.00  0.00    +0.049 A 
ATOM     20  N   LIG    1        5.026   1.046   1.109  0.00  0.00    -0.196 NA
ATOM     21  C   LIG    1        2.284  -0.935  -1.274  0.00  0.00    +0.014 A 
BRANCH  18  22
ATOM     22  N   LIG    1        7.368   0.730   0.817  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        8.019   0.544   0.065  0.00  0.00    +0.147 HD
ATOM     24  H   LIG    1        7.556   1.589   1.319  0.00  0.00    +0.147 HD
ENDBRANCH  18  22
ENDBRANCH   8  13
BRANCH  10  25
ATOM     25  C   LIG    1       -2.442   2.248   0.355  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -3.398   2.483  -0.814  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1       -3.188   2.148   1.685  0.00  0.00    +0.032 C 
ENDBRANCH  10  25
TORSDOF 3