REMARK  Name = BDB047275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.711   0.554   0.515  0.00  0.00    +0.206 C 
ATOM      2  O   LIG    1       -4.453   1.135   0.923  0.00  0.00    -0.474 OA
ATOM      3  C   LIG    1       -3.325   0.668   0.308  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -3.336  -0.113  -0.848  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -2.118  -0.549  -1.384  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.905  -0.186  -0.787  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -0.897   0.618   0.351  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -4.628  -0.508  -1.496  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -2.113   1.038   0.894  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -5.754   0.391  -1.013  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -7.213  -1.506   0.976  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -5.938  -0.748   1.320  0.00  0.00    +0.056 C 
ENDBRANCH   1  12
BRANCH   1  13
ATOM     13  C   LIG    1       -6.790   1.571   0.924  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -7.753   1.918   0.254  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.635   2.074   2.168  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -7.372   2.711   2.265  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  17
ATOM     17  O   LIG    1        0.207   1.045   1.035  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.502   0.793   0.486  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.038  -0.546   0.990  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.381  -0.902   0.363  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.323   0.121   0.675  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.583   0.020   0.148  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        6.449   1.103   0.368  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1        5.937   2.498   1.255  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        7.756   1.089  -0.128  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        8.227  -0.009  -0.860  0.00  0.00    +0.056 A 
ATOM     27  C   LIG    1        7.365  -1.096  -1.069  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        6.056  -1.081  -0.573  0.00  0.00    +0.048 A 
BRANCH  26  29
ATOM     29  C   LIG    1        9.645  -0.036  -1.376  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        9.789  -0.797  -2.496  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       10.117   1.198  -1.701  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       10.515  -0.545  -0.462  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 10