REMARK  Name = BDB062449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.542   0.017   0.600  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.735  -0.550   0.434  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.901   0.121   0.850  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1        1.782   1.367   1.471  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.524   1.945   1.643  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -0.624   1.279   1.209  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.884  -0.720  -1.038  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -2.729  -0.043  -0.624  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -1.754  -0.692   0.151  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -1.968  -2.044   0.480  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.107  -2.729   0.044  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.064  -2.070  -0.723  0.00  0.00    +0.013 A 
BRANCH   7  15
ATOM     13  C   LIG    1       -6.703  -0.336  -0.168  0.00  0.00    +0.132 C 
ATOM     14  N   LIG    1       -6.217  -0.028  -1.506  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1       -4.872  -0.001  -1.873  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1       -4.455   0.582  -2.872  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -7.188   0.547  -2.421  0.00  0.00    +0.132 C 
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  N   LIG    1        3.167  -0.511   0.664  0.00  0.00    -0.236 N 
ATOM     19  C   LIG    1        4.451   0.016   0.723  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        5.330  -1.056   0.721  0.00  0.00    +0.100 A 
ATOM     21  C   LIG    1        4.498  -2.166   0.483  0.00  0.00    +0.150 A 
ATOM     22  N   LIG    1        3.209  -1.847   0.399  0.00  0.00    -0.174 NA
BRANCH  19  23
ATOM     23  C   LIG    1        4.880   1.517   0.733  0.00  0.00    +0.039 C 
ATOM     24  C   LIG    1        5.764   2.022  -0.383  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        4.335   2.454  -0.317  0.00  0.00    +0.010 C 
ENDBRANCH  19  23
BRANCH  20  26
ATOM     26  C   LIG    1        6.765  -1.102   0.872  0.00  0.00    +0.340 C 
ATOM     27  O   LIG    1        7.458  -2.085   0.655  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        7.341   0.031   1.329  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        8.290  -0.206   1.374  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH   3  18
TORSDOF 6