REMARK  Name = BDB060076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.206  -2.023  -0.567  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.595  -1.161   0.356  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.315  -1.516   0.804  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.332  -2.673   0.379  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -1.571  -2.783   0.955  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.710  -1.716   1.720  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        0.309  -3.536  -0.522  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.577  -0.931   1.673  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -0.365   0.305   2.387  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        1.587  -3.202  -0.985  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        3.475  -1.786  -1.053  0.00  0.00    -0.456 OA
BRANCH  11  16
ATOM     12  C   LIG    1        5.266   1.310  -1.663  0.00  0.00    +0.044 A 
ATOM     13  N   LIG    1        4.431   1.998  -2.478  0.00  0.00    -0.260 NA
ATOM     14  C   LIG    1        3.271   1.403  -2.834  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1        2.884   0.150  -2.399  0.00  0.00    +0.066 A 
ATOM     16  C   LIG    1        3.740  -0.524  -1.534  0.00  0.00    +0.132 A 
ATOM     17  C   LIG    1        4.955   0.047  -1.173  0.00  0.00    +0.069 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.413   2.755   0.028  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1        6.555   1.986  -1.276  0.00  0.00    +0.052 C 
ENDBRANCH  12  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1       -2.926  -1.399   2.532  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.375  -0.070   2.239  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.187   0.120   1.155  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -4.739   1.401   1.067  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -5.584   1.732   0.000  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -5.852   0.798  -1.001  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.296  -0.478  -0.917  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.470  -0.817   0.159  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.181   3.081  -0.112  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -6.269   3.686  -1.165  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.655   3.546   1.063  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -6.670   2.887   1.783  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 8