REMARK  Name = BDB020459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.386  -1.398   0.403  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1        0.966  -0.955   0.408  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.007  -1.747   0.929  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.338  -1.293   0.886  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.665  -0.040   0.351  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.647   0.766  -0.179  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.732  -3.098   1.532  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.273  -3.228   1.926  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.318   0.297  -0.132  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.598  -2.808   0.753  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.580   1.157  -2.312  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.684   0.411  -0.986  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -3.388   0.256  -0.355  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -2.612  -0.863  -0.509  0.00  0.00    +0.079 A 
ATOM     15  C   LIG    1       -1.480  -0.606   0.232  0.00  0.00    +0.149 A 
ATOM     16  N   LIG    1       -1.565   0.633   0.818  0.00  0.00    -0.217 NA
ATOM     17  C   LIG    1       -3.071  -1.947  -1.391  0.00  0.00    +0.164 C 
ATOM     18  N   LIG    1       -4.520  -2.072  -1.271  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -5.101  -3.348  -1.649  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.729   1.127   0.460  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1       -5.346  -0.950  -1.222  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -6.566  -1.020  -1.394  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.241   2.521   0.921  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.975   3.719   0.047  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -2.237   3.563   1.344  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        5.055   0.364   0.357  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.549   1.474   1.008  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        6.896   1.472   0.791  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        7.853   2.439   1.270  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.318   0.430   0.051  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.197  -0.253  -0.198  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        2.922   2.115  -0.792  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        3.088   3.097   0.140  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        1.917   2.557  -1.606  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4