REMARK  Name = BDB065296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.041  -1.048   0.319  0.00  0.00    -0.422 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.438  -1.106   0.231  0.00  0.00    +0.133 A 
ATOM      3  C   LIG    1       -2.154  -0.250  -0.606  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -3.548  -0.376  -0.705  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -4.210  -1.386   0.037  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -5.605  -1.510  -0.063  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -6.338  -0.650  -0.889  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.687   0.347  -1.617  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -3.459  -2.249   0.853  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.300   0.481  -1.525  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -2.074  -2.115   0.946  0.00  0.00    +0.047 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -7.815  -0.796  -0.967  0.00  0.00    +0.116 C 
ATOM     13  N   LIG    1       -8.483  -0.585  -2.056  0.00  0.00    -0.285 NA
ATOM     14  H   LIG    1       -7.857  -0.369  -2.837  0.00  0.00    +0.188 HD
BRANCH  12  15
ATOM     15  N   LIG    1       -8.527  -1.156   0.138  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -8.203  -0.767   1.015  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -9.520  -1.001  -0.010  0.00  0.00    +0.144 HD
ENDBRANCH  12  15
ENDBRANCH   7  12
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.498   0.135   0.791  0.00  0.00    +0.351 C 
ATOM     19  O   LIG    1       -0.106   1.166   1.057  0.00  0.00    -0.244 OA
BRANCH  18  25
ATOM     20  C   LIG    1        6.933   0.930   0.622  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1        6.158  -0.198   0.898  0.00  0.00    +0.092 A 
ATOM     22  C   LIG    1        4.770  -0.100   0.882  0.00  0.00    +0.143 A 
ATOM     23  C   LIG    1        4.126   1.097   0.595  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        2.674   1.127   0.580  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        1.971   0.017   0.859  0.00  0.00    +0.144 A 
ATOM     26  C   LIG    1        2.638  -1.249   1.226  0.00  0.00    +0.351 A 
ATOM     27  O   LIG    1        2.018  -2.246   1.578  0.00  0.00    -0.244 OA
ATOM     28  C   LIG    1        4.899   2.225   0.318  0.00  0.00    +0.015 A 
ATOM     29  O   LIG    1        4.030  -1.259   1.177  0.00  0.00    -0.421 OA
ATOM     30  C   LIG    1        6.298   2.142   0.332  0.00  0.00    +0.046 A 
BRANCH  20  32
ATOM     31  C   LIG    1        9.120   1.839   0.401  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        8.283   0.720   0.665  0.00  0.00    -0.495 OA
ENDBRANCH  20  32
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 6