REMARK  Name = BDB047779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.741  -1.082   0.729  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -4.030  -0.575   0.582  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -5.015   0.420   0.514  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -4.774   1.781   0.522  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -6.067   2.367   0.434  0.00  0.00    +0.193 A 
ATOM      6  N   LIG    1       -7.021   1.421   0.371  0.00  0.00    -0.073 NA
ATOM      7  C   LIG    1       -3.447   2.229   0.604  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.422   1.273   0.673  0.00  0.00    +0.047 A 
ATOM      9  O   LIG    1       -6.357   0.209   0.423  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1       -2.700  -0.101   0.662  0.00  0.00    +0.127 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -6.396   3.816   0.390  0.00  0.00    +0.438 C 
ATOM     12  F   LIG    1       -5.535   4.556   1.145  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -7.643   4.103   0.848  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1       -6.317   4.316  -0.872  0.00  0.00    -0.164 F 
ENDBRANCH   5  11
BRANCH   2  15
ATOM     15  C   LIG    1       -4.363  -2.045   0.552  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -5.089  -2.211  -1.889  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -4.132  -2.703  -0.812  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  C   LIG    1       -0.372  -0.678   0.801  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.482  -1.944   0.819  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.959  -1.640   1.040  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.403  -0.750   0.019  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.702  -0.318   0.060  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        4.084   0.629  -0.902  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1        2.954   1.232  -2.067  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        5.392   1.125  -0.943  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        6.346   0.686  -0.017  0.00  0.00    -0.035 A 
ATOM     27  C   LIG    1        5.965  -0.261   0.942  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        4.657  -0.760   0.980  0.00  0.00    +0.047 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.760   1.216  -0.056  0.00  0.00    +0.155 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.786   0.234  -0.586  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1        8.580  -0.932  -0.882  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       10.022   0.785  -0.687  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       10.071   1.722  -0.420  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12