REMARK  Name = BDB021226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.184  -0.487   0.313  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -0.263  -1.568   0.476  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        1.076  -1.242   0.585  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.773  -2.424   0.702  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.814  -3.410   0.677  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        1.551   0.086   0.561  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.700   1.063   0.412  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.441  -2.876   0.542  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -0.637   0.749   0.300  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.137  -2.104   2.325  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -3.466  -1.380   1.071  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -2.603  -0.676   0.192  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -3.416  -0.214  -0.831  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -3.110   0.539  -2.076  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1       -4.684  -0.625  -0.497  0.00  0.00    -0.265 N 
ATOM     16  N   LIG    1       -4.737  -1.328   0.653  0.00  0.00    -0.176 NA
BRANCH  15  17
ATOM     17  C   LIG    1       -5.931  -0.396  -1.217  0.00  0.00    +0.174 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -6.990   0.261  -0.322  0.00  0.00    +0.133 C 
ATOM     19  C   LIG    1       -8.169   0.758  -1.146  0.00  0.00    +0.039 C 
BRANCH  18  20
ATOM     20  O   LIG    1       -7.502  -0.675   0.631  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1       -6.712  -1.099   1.041  0.00  0.00    +0.210 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   5  22
ATOM     22  C   LIG    1        1.026  -4.823   0.767  0.00  0.00    +0.121 C 
ATOM     23  N   LIG    1        1.243  -5.961   0.846  0.00  0.00    -0.189 NA
ENDBRANCH   5  22
BRANCH   6  24
ATOM     24  N   LIG    1        2.906   0.307   0.689  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        3.447  -0.409   1.161  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.425   1.644   0.922  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.918   1.629   0.770  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        5.538   1.616  -0.475  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.952   1.685  -1.835  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1        6.190   1.326  -2.658  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1        7.374   1.613  -1.879  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1        6.923   1.604  -0.585  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1        7.750   1.602   0.520  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1        7.151   1.595   1.779  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1        5.754   1.604   1.894  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1        5.213   1.585   3.121  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 8