REMARK  Name = BDB042627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.148  -0.234  -1.164  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.017   0.059  -2.135  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.214   0.403  -1.579  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        2.358   0.512  -2.507  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.470   1.417  -1.961  0.00  0.00    +0.127 C 
ATOM      6  N   LIG    1        3.833   1.014  -0.601  0.00  0.00    -0.297 N 
ATOM      7  C   LIG    1        4.930   0.174  -0.439  0.00  0.00    +0.233 C 
ATOM      8  O   LIG    1        5.660  -0.130  -1.388  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1        2.700   1.075   0.325  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1        1.558   0.166  -0.164  0.00  0.00    +0.126 C 
ATOM     11  O   LIG    1       -0.195   0.012  -3.352  0.00  0.00    -0.276 OA
BRANCH   7  12
ATOM     12  C   LIG    1        5.243  -0.353   0.985  0.00  0.00    +0.141 C 
ATOM     13  N   LIG    1        6.328  -1.372   0.917  0.00  0.00    -0.306 NA
ATOM     14  H   LIG    1        6.666  -1.368  -0.055  0.00  0.00    +0.123 HD
ATOM     15  C   LIG    1        7.412  -0.914   1.789  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1        7.256   0.588   1.865  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1        5.752   0.764   1.889  0.00  0.00    +0.029 C 
ENDBRANCH   7  12
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -2.449  -0.574  -1.895  0.00  0.00    +0.062 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -6.886   1.972  -0.413  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.771   0.680   0.352  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -5.691  -0.213   0.168  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1       -5.649  -1.409   0.916  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1       -4.516  -2.347   0.717  0.00  0.00    +0.259 A 
ATOM     24  N   LIG    1       -3.564  -1.969  -0.205  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -2.818  -2.642  -0.337  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -3.587  -0.805  -0.932  0.00  0.00    +0.020 A 
ATOM     27  O   LIG    1       -4.402  -3.403   1.325  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.660  -1.704   1.828  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1       -6.647  -2.829   2.555  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.722  -0.826   2.011  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -4.601   0.061  -0.782  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -7.779   0.358   1.278  0.00  0.00    +0.007 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 4