REMARK  Name = BDB048365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.982   1.532  -0.391  0.00  0.00    -0.266 N 
ATOM      2  C   LIG    1       -1.713   0.394  -0.267  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -3.179   0.221  -0.363  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -3.557  -1.130   0.281  0.00  0.00    +0.114 C 
ATOM      5  N   LIG    1       -2.647  -2.232  -0.105  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -1.205  -2.044   0.150  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -3.062  -3.549  -0.261  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -2.272  -4.494  -0.274  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -4.539  -3.795  -0.429  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -0.811  -0.624  -0.046  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        0.465   0.003  -0.037  0.00  0.00    +0.150 A 
ATOM     12  N   LIG    1        0.336   1.319  -0.240  0.00  0.00    -0.155 NA
ENDROOT
BRANCH  11  13
ATOM     13  N   LIG    1        1.607  -0.702   0.160  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.522  -1.706   0.252  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.961  -0.301   0.232  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.946  -1.290   0.418  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.311  -0.971   0.494  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        6.330  -2.046   0.725  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.700   0.367   0.408  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        4.742   1.361   0.224  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.387   1.027   0.136  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH  11  13
BRANCH   1  22
ATOM     22  C   LIG    1       -1.457   2.876  -0.659  0.00  0.00    +0.143 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.198   5.067   0.331  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -1.693   3.664   0.626  0.00  0.00    +0.020 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 4