REMARK  Name = BDB045915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.967   0.042   0.607  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        0.896  -0.772   0.217  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.424  -0.280   0.169  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.672   1.065   0.515  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1        0.405   1.875   0.902  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.708   1.369   0.948  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.474  -1.264  -0.265  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -2.787  -0.870  -0.189  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -2.984   0.096   0.050  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -1.153  -2.379  -0.667  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.857  -1.704  -0.673  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.195  -1.087  -0.363  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.786  -1.273   0.893  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -7.013  -0.678   1.195  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -7.666   0.128   0.250  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -7.071   0.315  -1.007  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -5.844  -0.281  -1.307  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -9.002   0.754   0.566  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1       -9.169   1.017   1.893  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1      -10.047  -0.042   0.208  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -9.200   1.941  -0.073  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  22
ATOM     22  O   LIG    1       -1.966   1.519   0.445  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1       -2.225   2.866   0.828  0.00  0.00    +0.277 C 
ENDBRANCH   4  22
BRANCH   1  24
ATOM     24  C   LIG    1        3.376  -0.508   0.640  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.035  -0.558  -0.748  0.00  0.00    +0.102 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.430   0.822  -1.231  0.00  0.00    +0.308 C 
ATOM     27  O   LIG    1        4.574   1.833  -0.563  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        4.630   0.860  -2.564  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1        4.867   1.794  -2.744  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  C   LIG    1        5.225  -1.538  -0.820  0.00  0.00    +0.015 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.240  -1.520   0.332  0.00  0.00    +0.001 C 
BRANCH  31  33
ATOM     32  C   LIG    1        7.939   0.075  -0.711  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        7.072  -0.248   0.496  0.00  0.00    -0.003 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 12