REMARK  Name = BDB022452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.628  -1.403   1.716  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.341  -0.928   1.401  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.774  -1.220   2.209  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1       -0.582  -2.011   3.349  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.685  -2.493   3.675  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.780  -2.190   2.866  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.003  -0.471  -0.776  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        4.227   0.566  -0.219  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1        3.128   0.255   0.591  0.00  0.00    +0.056 A 
ATOM     10  C   LIG    1        2.782  -1.081   0.861  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        3.566  -2.097   0.297  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.664  -1.798  -0.515  0.00  0.00    +0.027 A 
BRANCH   7  14
ATOM     13  C   LIG    1        7.020  -0.894  -2.201  0.00  0.00    +0.241 C 
ATOM     14  N   LIG    1        6.095  -0.089  -1.587  0.00  0.00    -0.279 N 
ATOM     15  H   LIG    1        6.203   0.916  -1.664  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        7.118  -2.112  -2.124  0.00  0.00    -0.271 OA
BRANCH  13  18
ATOM     17  C   LIG    1        7.835   0.998  -3.648  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1        8.041  -0.155  -2.998  0.00  0.00    +0.060 C 
ENDBRANCH  13  18
ENDBRANCH   7  14
BRANCH   8  19
ATOM     19  O   LIG    1        4.637   1.843  -0.534  0.00  0.00    -0.493 OA
ATOM     20  C   LIG    1        3.912   2.917   0.055  0.00  0.00    +0.277 C 
ENDBRANCH   8  19
ENDBRANCH   1  10
BRANCH   3  21
ATOM     21  C   LIG    1       -2.151  -0.675   1.822  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -2.758   0.157   2.956  0.00  0.00    +0.022 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -3.135  -1.774   1.399  0.00  0.00    +0.225 C 
ATOM     24  N   LIG    1       -4.154  -1.534   0.525  0.00  0.00    -0.268 N 
ATOM     25  H   LIG    1       -4.717  -2.355   0.351  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1       -3.080  -2.920   1.865  0.00  0.00    -0.275 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -4.522  -0.391  -0.142  0.00  0.00    +0.147 A 
ATOM     28  N   LIG    1       -3.924   0.798  -0.052  0.00  0.00    -0.158 NA
ATOM     29  N   LIG    1       -4.628   1.596  -0.872  0.00  0.00    -0.280 N 
ATOM     30  H   LIG    1       -4.348   2.566  -0.969  0.00  0.00    +0.189 HD
ATOM     31  C   LIG    1       -5.664   0.957  -1.479  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -5.624  -0.340  -1.035  0.00  0.00    +0.068 A 
BRANCH  31  33
ATOM     33  C   LIG    1       -6.659   1.568  -2.486  0.00  0.00    +0.037 C 
ATOM     34  C   LIG    1       -8.133   1.491  -2.193  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -7.420   2.808  -2.099  0.00  0.00    +0.010 C 
ENDBRANCH  31  33
ENDBRANCH  24  27
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 8