REMARK  Name = BDB040463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.162   1.779  -1.084  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.287   1.420  -0.906  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.855   1.365   0.368  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.202   1.011   0.553  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.712   0.952   2.203  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -4.038   0.706  -0.541  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.431   0.734  -1.821  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.288   0.308  -3.269  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.085   1.086  -1.999  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.518   0.332  -0.426  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.322   1.083   0.625  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -6.429   2.308   0.623  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.927   0.332   1.604  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.447   0.858   2.293  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.642  -0.963   1.957  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.069  -1.443   3.003  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.718  -1.726   1.040  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.769  -1.180  -0.374  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.376   0.780  -0.763  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.005   0.632  -0.835  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.610  -0.284  -0.993  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.897   1.890  -0.847  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.594  -1.401   0.532  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        3.192  -0.538  -0.603  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        3.042  -1.323  -1.925  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.663  -0.237  -0.237  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        4.962   0.512   0.917  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        6.289   0.787   1.266  0.00  0.00    +0.144 A 
ATOM     29  N   LIG    1        7.333   0.326   0.523  0.00  0.00    -0.251 NA
ATOM     30  C   LIG    1        7.040  -0.382  -0.585  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        5.749  -0.683  -0.998  0.00  0.00    +0.024 A 
BRANCH  28  32
ATOM     32  C   LIG    1        6.566   1.587   2.533  0.00  0.00    +0.434 C 
ATOM     33  F   LIG    1        5.702   2.633   2.699  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1        7.815   2.130   2.595  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1        6.432   0.830   3.662  0.00  0.00    -0.164 F 
ENDBRANCH  28  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6