REMARK  Name = BDB035353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.664   0.597   0.789  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -0.114  -0.541   0.206  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.195  -0.972   0.337  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        2.253  -0.389   1.109  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        3.481  -0.942   1.123  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        3.736  -2.217   0.361  0.00  0.00    +0.255 A 
ATOM      7  N   LIG    1        2.656  -2.723  -0.374  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1        2.840  -3.942  -1.145  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1        4.837  -2.762   0.416  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        1.430  -2.090  -0.362  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        0.214  -2.554  -1.083  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1       -0.776  -1.428  -0.771  0.00  0.00    +0.120 C 
ATOM     13  O   LIG    1        0.008   1.370   1.486  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.214   0.839   0.749  0.00  0.00    +0.165 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.745   1.276  -1.624  0.00  0.00    +0.230 C 
ATOM     16  N   LIG    1       -2.875   0.472  -0.503  0.00  0.00    -0.302 N 
ATOM     17  H   LIG    1       -3.789   0.025  -0.472  0.00  0.00    +0.150 HD
ATOM     18  O   LIG    1       -1.896   2.152  -1.732  0.00  0.00    -0.274 OA
BRANCH  15  19
ATOM     19  C   LIG    1       -3.732   0.884  -2.747  0.00  0.00    +0.137 C 
ATOM     20  C   LIG    1       -3.809   1.943  -3.843  0.00  0.00    +0.034 C 
BRANCH  19  22
ATOM     21  C   LIG    1       -5.812   1.629  -1.652  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1       -5.048   0.494  -2.169  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1       -5.600   0.063  -2.913  0.00  0.00    +0.122 HD
ENDBRANCH  19  22
ENDBRANCH  15  19
ENDBRANCH  14  16
BRANCH  14  24
ATOM     24  C   LIG    1       -2.951   0.246   2.008  0.00  0.00    -0.011 C 
ATOM     25  C   LIG    1       -4.406   0.770   2.054  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -2.271   0.710   3.316  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -2.991  -1.290   2.011  0.00  0.00    +0.013 C 
ENDBRANCH  14  24
ENDBRANCH   1  14
BRANCH   5  28
ATOM     28  C   LIG    1        4.626  -0.369   1.911  0.00  0.00    +0.075 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.530   0.519   1.083  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1        6.686  -0.003   0.482  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        7.510   0.814  -0.293  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1        7.176   2.151  -0.473  0.00  0.00    +0.123 A 
ATOM     33  F   LIG    1        7.968   2.933  -1.218  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        6.032   2.686   0.105  0.00  0.00    +0.038 A 
ATOM     35  C   LIG    1        5.207   1.872   0.882  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7