REMARK  Name = BDB027625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.580  -1.073   0.556  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.143  -2.064   1.250  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.512  -2.096   1.000  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.236  -3.075   1.666  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.733  -3.987   2.538  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.413  -3.919   2.773  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.118  -1.237   0.172  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.356  -0.307  -0.425  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.413  -2.991   2.166  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.021  -0.193  -0.260  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.055   0.656  -1.302  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        1.378   1.665  -1.998  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.089   2.543  -2.804  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.425   2.496  -2.968  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.077   1.525  -2.300  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.449   0.604  -1.475  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.968  -1.004   0.757  0.00  0.00    -0.317 N 
ATOM     18  H   LIG    1       -2.346  -1.929   0.547  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.810   0.037   0.103  0.00  0.00    +0.178 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.752   0.169  -1.433  0.00  0.00    +0.408 C 
ATOM     21  F   LIG    1       -1.751   0.934  -1.899  0.00  0.00    -0.169 F 
ATOM     22  F   LIG    1       -3.907   0.722  -1.888  0.00  0.00    -0.169 F 
ATOM     23  F   LIG    1       -2.657  -1.052  -2.016  0.00  0.00    -0.169 F 
ENDBRANCH  19  20
BRANCH  19  24
ATOM     24  C   LIG    1       -2.827   1.364   0.872  0.00  0.00    +0.059 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.562   2.203   0.829  0.00  0.00    +0.158 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -1.832   3.441   1.482  0.00  0.00    -0.395 OA
ATOM     27  H   LIG    1       -0.998   3.943   1.492  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7