REMARK  Name = BDB047356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.176  -0.573   1.734  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -5.342   0.486  -1.077  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1       -5.294   0.842   0.329  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1       -4.039   0.498   0.746  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -3.185   0.137  -0.278  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.872  -0.231  -0.025  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -1.430  -0.241   1.301  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -2.311   0.132   2.334  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.629   0.509   2.061  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -3.889   0.276  -1.574  0.00  0.00    +0.098 C 
BRANCH   2  12
ATOM     11  C   LIG    1       -7.583  -0.700  -0.643  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -6.180  -0.804  -1.232  0.00  0.00    +0.057 C 
ENDBRANCH   2  12
BRANCH   2  13
ATOM     13  C   LIG    1       -5.969   1.592  -1.933  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -5.967   1.633  -3.156  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.581   2.567  -1.233  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.931   3.182  -1.910  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   2  13
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.796  -1.010   0.784  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.541   0.173   0.162  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.325   0.977   1.200  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.344   0.184   1.807  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.585   0.105   1.236  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        5.553  -0.631   1.935  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1        5.189  -1.396   3.444  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        6.849  -0.771   1.429  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        7.206  -0.183   0.215  0.00  0.00    +0.132 A 
ATOM     26  C   LIG    1        6.248   0.545  -0.488  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.947   0.687   0.019  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1        8.501  -0.399  -0.161  0.00  0.00    -0.406 OA
BRANCH  28  29
ATOM     29  C   LIG    1        8.941   0.166  -1.385  0.00  0.00    +0.575 C 
ATOM     30  F   LIG    1        8.843   1.512  -1.361  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1        8.230  -0.319  -2.426  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1       10.238  -0.160  -1.573  0.00  0.00    -0.133 F 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11