REMARK  Name = BDB007995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.201  -0.244  -0.401  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        1.947  -0.379  -1.800  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.596  -0.710  -1.899  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -0.046  -0.924  -3.129  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        0.727  -0.796  -4.286  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.075  -0.468  -4.205  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1        2.786  -0.353  -5.335  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        0.151  -0.750  -0.601  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1        2.707  -0.255  -2.981  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        1.094  -0.460   0.312  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        3.426   0.088   0.075  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1        4.176   0.200  -0.614  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1        5.195   0.703   1.666  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1        3.933   0.140   1.394  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        3.225  -0.282   2.517  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        3.688  -0.233   3.796  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1        4.924   0.259   3.989  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        5.714   0.739   2.966  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1        6.022   0.723  -0.558  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        6.007   1.239   0.548  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1        6.669   2.376   0.847  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        6.395   2.806   1.679  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  C   LIG    1       -1.200  -1.044  -0.150  0.00  0.00    +0.159 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.020   0.241   0.008  0.00  0.00    +0.107 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.418  -0.003   0.416  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1       -3.996   1.202   1.039  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1       -5.520   1.268   0.981  0.00  0.00    +0.091 C 
ATOM     28  C   LIG    1       -6.115  -0.120   1.010  0.00  0.00    +0.251 C 
ATOM     29  F   LIG    1       -5.871  -0.689   2.221  0.00  0.00    -0.206 F 
ATOM     30  F   LIG    1       -7.468  -0.033   0.909  0.00  0.00    -0.206 F 
ATOM     31  C   LIG    1       -5.591  -1.018  -0.097  0.00  0.00    +0.091 C 
ATOM     32  C   LIG    1       -4.259  -0.521  -0.660  0.00  0.00    +0.090 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7