REMARK  Name = BDB045791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.500  -1.483   1.960  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        0.906  -1.466   2.139  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.434  -1.976   3.331  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        0.600  -2.525   4.310  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1       -0.774  -2.577   4.103  0.00  0.00    +0.042 A 
ATOM      6 CL   LIG    1       -1.795  -3.276   5.297  0.00  0.00    -0.084 Cl
ATOM      7  C   LIG    1       -1.330  -2.064   2.935  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -2.348  -0.281   0.916  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -2.674  -0.172   1.869  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -1.117  -0.886   0.732  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1       -0.476  -0.917  -0.315  0.00  0.00    -0.270 OA
BRANCH   8  14
ATOM     12  C   LIG    1       -5.187   1.584  -0.549  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1       -4.318   0.974   0.368  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -3.165   0.310  -0.071  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1       -2.900   0.256  -1.441  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -3.764   0.862  -2.359  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -4.906   1.528  -1.916  0.00  0.00    +0.015 A 
BRANCH  12  19
ATOM     18  O   LIG    1       -6.695   2.356   1.156  0.00  0.00    -0.245 OA
ATOM     19  C   LIG    1       -6.388   2.273  -0.019  0.00  0.00    +0.337 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -7.145   2.823  -0.983  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1       -7.889   3.236  -0.496  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  12  19
ENDBRANCH   8  14
ENDBRANCH   1  10
BRANCH   2  22
ATOM     22  N   LIG    1        1.727  -0.944   1.108  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1        1.224  -0.746   0.241  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1        3.100  -0.805   1.087  0.00  0.00    +0.248 C 
ATOM     25  O   LIG    1        3.875  -1.111   1.986  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1        3.669  -0.243  -0.176  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        2.956   0.645  -0.993  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        3.539   1.145  -2.163  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        4.845   0.780  -2.527  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1        5.555  -0.104  -1.701  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        4.975  -0.605  -0.532  0.00  0.00    +0.013 A 
BRANCH  29  32
ATOM     32  C   LIG    1        5.461   1.304  -3.802  0.00  0.00    +0.417 C 
ATOM     33  F   LIG    1        6.819   1.395  -3.744  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        5.184   0.512  -4.874  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        5.020   2.550  -4.134  0.00  0.00    -0.166 F 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH   2  22
TORSDOF 7