REMARK  Name = BDB008872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.410   0.553   1.529  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.221   0.653   2.902  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.929   1.524   3.635  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.706  -0.164   3.540  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.461  -1.072   2.794  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.309  -1.160   1.399  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.353  -0.345   0.772  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.190   0.039   0.137  0.00  0.00    +0.078 C 
ATOM      9  C   LIG    1        4.631   1.309  -0.536  0.00  0.00    +0.032 C 
ATOM     10  C   LIG    1        3.683   2.095   0.366  0.00  0.00    +0.109 C 
ATOM     11  N   LIG    1        2.729   1.203   1.010  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1        1.366   1.432   0.839  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1        0.897   2.300   0.107  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        3.283   0.093   1.785  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        4.793  -0.051   1.616  0.00  0.00    +0.032 C 
BRANCH   8  19
ATOM     16  N   LIG    1        7.139  -0.113  -1.315  0.00  0.00    -0.329 N 
ATOM     17  H   LIG    1        6.517  -0.242  -2.100  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        8.133  -0.228  -1.461  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1        6.700  -0.047  -0.024  0.00  0.00    +0.214 C 
ATOM     20  O   LIG    1        7.496  -0.071   0.906  0.00  0.00    -0.276 OA
ENDBRANCH   8  19
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  C   LIG    1       -2.133  -2.165   0.622  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.549  -1.705  -0.771  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -3.724  -0.791  -0.927  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -4.479  -0.292   0.272  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -5.434   0.864  -0.047  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.195   0.610  -1.342  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.232   0.430  -2.517  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -4.057  -0.447  -2.183  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -3.256  -0.944  -3.330  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -3.527  -0.645  -4.488  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -2.200  -1.755  -3.014  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -1.641  -2.106  -3.785  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -1.838  -2.150  -1.765  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 4