REMARK  Name = BDB041296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.756   0.461   0.001  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        2.308  -0.689  -0.690  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        0.942  -0.820  -0.996  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.558  -1.957  -1.712  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1        1.409  -2.936  -2.088  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1        2.717  -2.825  -1.776  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        0.047   0.194  -0.585  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1        0.476   1.296   0.063  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        3.144  -1.731  -1.107  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1        1.794   1.409   0.334  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.899  -0.397   2.632  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1        4.717   0.301   1.582  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        4.162   0.695   0.353  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        5.010   1.339  -0.560  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        6.345   1.564  -0.240  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.799   1.138   0.993  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        6.019   0.516   1.902  0.00  0.00    -0.260 NA
ENDBRANCH   1  13
BRANCH   7  18
ATOM     18  N   LIG    1       -1.326   0.063  -0.859  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1       -1.673  -0.799  -0.451  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.143   1.207  -0.465  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.588   0.898  -0.744  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.376   0.154   0.131  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.031  -0.492   1.420  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.438  -0.834   1.912  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.328  -0.906   0.776  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.696  -0.152  -0.179  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.292   0.256  -1.355  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.525   1.011  -2.242  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.194   1.323  -1.934  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.492   2.048  -2.817  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   7  18
TORSDOF 4