REMARK  Name = BDB028860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.268   3.122  -0.090  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.353   1.744  -0.037  0.00  0.00    +0.165 A 
ATOM      3  N   LIG    1       -0.953   1.255  -0.184  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1       -1.227  -0.142  -0.171  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -0.189  -0.984  -0.014  0.00  0.00    +0.110 A 
ATOM      6  C   LIG    1        1.142  -0.352   0.129  0.00  0.00    +0.220 A 
ATOM      7  N   LIG    1       -1.853   2.273  -0.314  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1        1.426   0.910   0.123  0.00  0.00    -0.193 NA
ATOM      9  C   LIG    1       -1.111   3.377  -0.262  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        1.228   5.024   1.231  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1        1.391   4.110   0.014  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        1.534   4.938  -1.264  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   4  13
ATOM     13  N   LIG    1       -2.559  -0.532  -0.332  0.00  0.00    -0.327 N 
ATOM     14  H   LIG    1       -3.180   0.280  -0.212  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.156  -1.737   0.232  0.00  0.00    +0.121 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.642  -1.851  -0.182  0.00  0.00    +0.073 C 
ATOM     17  N   LIG    1       -5.458  -0.691   0.279  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -5.906   0.122  -0.855  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1       -6.611  -1.228   1.021  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1       -6.738  -2.678   0.599  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -5.293  -3.091   0.433  0.00  0.00    +0.021 C 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   4  13
BRANCH   6  22
ATOM     22  O   LIG    1        2.069  -1.331   0.274  0.00  0.00    -0.473 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.450  -0.936   0.418  0.00  0.00    +0.178 C 
ATOM     24  C   LIG    1        4.066  -0.662  -0.953  0.00  0.00    +0.060 C 
ATOM     25  C   LIG    1        5.572  -0.434  -0.835  0.00  0.00    +0.087 C 
ATOM     26  N   LIG    1        6.288  -1.515  -0.145  0.00  0.00    -0.305 NA
ATOM     27  C   LIG    1        6.422  -2.709  -0.978  0.00  0.00    +0.104 C 
ATOM     28  C   LIG    1        5.689  -1.811   1.161  0.00  0.00    +0.087 C 
ATOM     29  C   LIG    1        4.187  -2.083   1.107  0.00  0.00    +0.060 C 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 6