REMARK  Name = BDB041287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.458   0.539   0.132  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1       -1.990   1.347  -0.928  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.612   1.370  -1.209  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -0.202   2.199  -2.260  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1       -1.043   2.950  -3.006  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1       -2.366   2.910  -2.748  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        0.266   0.573  -0.441  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.305  -0.202   0.562  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1       -2.815   2.127  -1.742  0.00  0.00    +0.146 A 
ATOM     10  N   LIG    1       -1.624  -0.236   0.854  0.00  0.00    -0.239 NA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.714   0.524  -0.663  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        2.265  -0.362  -1.600  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        3.646  -0.407  -1.815  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.505   0.432  -1.095  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        3.956   1.318  -0.158  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        2.576   1.363   0.057  0.00  0.00    +0.009 A 
BRANCH  14  17
ATOM     17  C   LIG    1        6.001   0.394  -1.328  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1        6.756   0.043  -0.123  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        8.200   0.160  -0.330  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        8.777  -0.578   0.868  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1        7.705  -1.585   1.267  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1        6.551  -1.343   0.304  0.00  0.00    +0.085 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   7  11
BRANCH   1  23
ATOM     23  N   LIG    1       -3.834   0.521   0.438  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1       -4.135   1.471   0.645  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.201  -0.369   1.536  0.00  0.00    +0.141 C 
BRANCH  25  28
ATOM     26  F   LIG    1       -5.525   0.730   3.801  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -6.294   0.205   2.835  0.00  0.00    +0.129 A 
ATOM     28  C   LIG    1       -5.697  -0.354   1.698  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1       -6.554  -0.877   0.733  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.250  -1.463  -0.594  0.00  0.00    +0.080 C 
ATOM     31  C   LIG    1       -7.617  -2.065  -0.916  0.00  0.00    +0.234 C 
ATOM     32  O   LIG    1       -8.632  -1.374  -0.150  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1       -7.933  -0.834   0.898  0.00  0.00    +0.124 A 
ATOM     34  C   LIG    1       -8.524  -0.274   2.012  0.00  0.00    +0.049 A 
ATOM     35  C   LIG    1       -7.686   0.249   2.997  0.00  0.00    +0.042 A 
ENDBRANCH  25  28
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6