REMARK  Name = BDB064231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.040  -2.147   0.650  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.086  -1.830   2.004  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.255  -1.613   2.624  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.088  -1.728   2.743  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.320  -1.957   2.125  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.390  -2.297   0.763  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.194  -2.410   0.037  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  14
ATOM      8  O   LIG    1        5.721  -0.823  -1.242  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1        4.646  -0.613  -0.677  0.00  0.00    +0.233 C 
ATOM     10  N   LIG    1        4.441   0.494   0.140  0.00  0.00    -0.298 N 
ATOM     11  C   LIG    1        3.206   0.668   0.899  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        1.992   0.095   0.177  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        2.236  -1.305  -0.149  0.00  0.00    -0.287 N 
ATOM     14  C   LIG    1        1.270  -2.305  -0.149  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1        1.379  -3.338  -0.809  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        3.447  -1.548  -0.931  0.00  0.00    +0.204 C 
BRANCH  10  17
ATOM     17  C   LIG    1        5.555   1.382   0.438  0.00  0.00    +0.111 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.491   2.590  -0.446  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1        6.259   3.834  -0.077  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        4.756   3.839  -0.026  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   6  21
ATOM     21  C   LIG    1       -3.727  -2.569   0.100  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.598  -1.392   0.057  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -4.436  -0.380  -0.941  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -5.241   0.765  -0.899  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -5.111   1.792  -1.845  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -4.168   1.681  -2.862  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.366   0.546  -2.930  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.250   0.893   0.162  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1       -6.950   1.892   0.277  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1       -6.357  -0.168   1.015  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1       -7.037  -0.086   1.756  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1       -3.499  -0.475  -1.980  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1       -5.564  -1.278   1.047  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1       -5.733  -2.104   1.944  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5