REMARK  Name = BDB063384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.118  -0.962   0.453  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1       -3.003  -0.195   0.807  0.00  0.00    -0.299 N 
ATOM      3  C   LIG    1       -1.814  -0.901   1.305  0.00  0.00    +0.110 C 
ATOM      4  C   LIG    1       -0.529  -0.204   0.866  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -0.444   1.223   1.434  0.00  0.00    +0.070 C 
ATOM      6  C   LIG    1       -1.849   1.838   1.623  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -2.870   1.257   0.650  0.00  0.00    +0.110 C 
ATOM      8  O   LIG    1       -4.101  -2.185   0.618  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -6.194   0.332   1.060  0.00  0.00    +0.061 C 
ATOM     10  C   LIG    1       -5.386  -0.266  -0.095  0.00  0.00    +0.234 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -6.244  -1.339  -0.795  0.00  0.00    +0.427 C 
ATOM     12  F   LIG    1       -6.678  -2.320   0.021  0.00  0.00    -0.167 F 
ATOM     13  F   LIG    1       -5.573  -1.897  -1.832  0.00  0.00    -0.167 F 
ATOM     14  F   LIG    1       -7.356  -0.768  -1.334  0.00  0.00    -0.167 F 
ENDBRANCH  10  11
BRANCH  10  15
ATOM     15  O   LIG    1       -5.065   0.795  -1.023  0.00  0.00    -0.373 OA
ATOM     16  H   LIG    1       -4.751   0.365  -1.842  0.00  0.00    +0.211 HD
ENDBRANCH  10  15
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.154   1.134   2.737  0.00  0.00    -0.388 OA
ATOM     18  H   LIG    1        0.156   2.019   3.141  0.00  0.00    +0.210 HD
ENDBRANCH   5  17
BRANCH   5  19
ATOM     19  C   LIG    1        0.445   2.148   0.567  0.00  0.00    +0.053 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.885   1.659   0.353  0.00  0.00    +0.104 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.966   0.743  -0.774  0.00  0.00    -0.340 N 
ATOM     22  H   LIG    1        1.226   0.818  -1.470  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.093   0.055  -1.239  0.00  0.00    +0.097 C 
ATOM     24  C   LIG    1        4.384   0.119  -0.459  0.00  0.00    +0.210 C 
ATOM     25  O   LIG    1        4.546   0.866   0.501  0.00  0.00    -0.285 OA
ATOM     26  C   LIG    1        5.505  -0.735  -0.871  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        5.452  -1.473  -2.034  0.00  0.00    +0.123 A 
ATOM     28  N   LIG    1        6.474  -2.266  -2.460  0.00  0.00    -0.251 NA
ATOM     29  C   LIG    1        7.582  -2.318  -1.691  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        7.724  -1.611  -0.510  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        4.254  -1.425  -2.897  0.00  0.00    +0.225 C 
ATOM     32  O   LIG    1        4.227  -1.991  -3.985  0.00  0.00    -0.284 OA
ATOM     33  C   LIG    1        6.668  -0.804  -0.096  0.00  0.00    +0.015 A 
ATOM     34  C   LIG    1        3.087  -0.667  -2.377  0.00  0.00    +0.114 C 
ATOM     35 CL   LIG    1        1.639  -0.757  -3.344  0.00  0.00    -0.077 Cl
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 8