REMARK  Name = BDB032342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.169  -0.941  -1.453  0.00  0.00    +0.122 A 
ATOM      2  N   LIG    1        2.111   0.352  -1.077  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        0.900   0.960  -1.047  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -0.295   0.343  -1.384  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1       -0.223  -0.989  -1.785  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.014  -1.631  -1.821  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.668   0.101  -2.812  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1        4.636  -0.786  -1.569  0.00  0.00    +0.092 C 
ATOM      9  N   LIG    1        3.403  -1.618  -1.480  0.00  0.00    -0.303 N 
ATOM     10  C   LIG    1        3.484  -2.595  -0.361  0.00  0.00    +0.183 C 
ATOM     11  C   LIG    1        4.055  -2.027   0.897  0.00  0.00    +0.151 A 
ATOM     12  N   LIG    1        4.051  -2.522   2.114  0.00  0.00    -0.132 NA
ATOM     13  N   LIG    1        4.706  -1.628   2.932  0.00  0.00    -0.125 NA
ATOM     14  C   LIG    1        5.101  -0.601   2.199  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1        4.725  -0.833   0.904  0.00  0.00    -0.305 N 
ATOM     16  C   LIG    1        4.938  -0.009  -0.271  0.00  0.00    +0.147 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.830   0.615   2.628  0.00  0.00    +0.452 C 
ATOM     18  F   LIG    1        7.053   0.693   2.038  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1        5.168   1.749   2.272  0.00  0.00    -0.163 F 
ATOM     20  F   LIG    1        6.034   0.683   3.967  0.00  0.00    -0.163 F 
ENDBRANCH  14  17
ENDBRANCH   1   9
BRANCH   4  21
ATOM     21  C   LIG    1       -1.604   1.083  -1.331  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.488   0.433  -0.370  0.00  0.00    -0.339 N 
ATOM     23  H   LIG    1       -1.996   0.211   0.492  0.00  0.00    +0.146 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.761   0.970  -0.090  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1       -4.539   0.427   0.983  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -5.829   0.948   1.254  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -6.559   0.398   2.332  0.00  0.00    +0.124 A 
ATOM     28  N   LIG    1       -6.103  -0.586   3.126  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1       -4.885  -1.079   2.843  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1       -6.334   1.984   0.443  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1       -5.605   2.471  -0.634  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -4.089  -0.624   1.806  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -4.341   1.956  -0.906  0.00  0.00    +0.023 A 
BRANCH  27  34
ATOM     34  N   LIG    1       -7.846   0.844   2.659  0.00  0.00    -0.343 N 
ATOM     35  H   LIG    1       -8.467   0.737   1.866  0.00  0.00    +0.144 HD
ATOM     36  H   LIG    1       -8.146   0.265   3.441  0.00  0.00    +0.144 HD
ENDBRANCH  27  34
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 6