REMARK  Name = BDB059759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.697  -0.114  -1.528  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -2.077   0.223  -1.682  0.00  0.00    -0.492 OA
BRANCH   2   6
ATOM      3  C   LIG    1       -4.230   2.208   1.298  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -3.023   1.588   1.634  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -2.262   0.914   0.672  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -2.708   0.846  -0.644  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -3.931   1.433  -0.973  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -4.689   2.110  -0.010  0.00  0.00    +0.049 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -4.847   2.834   2.339  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -5.297   5.024   1.325  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.850   3.840   2.137  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -6.156   4.346   3.560  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -7.196   3.319   1.597  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -7.581   2.160   1.565  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -8.020   4.296   1.157  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -8.830   3.811   0.889  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.547  -1.565  -1.069  0.00  0.00    +0.076 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.901  -1.966  -0.950  0.00  0.00    -0.044 A 
ATOM     19  C   LIG    1        1.588  -1.799   0.259  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        2.941  -2.140   0.355  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        3.634  -2.639  -0.751  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        2.941  -2.816  -1.955  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        1.589  -2.476  -2.058  0.00  0.00    +0.006 A 
BRANCH  21  24
ATOM     24  N   LIG    1        4.989  -2.992  -0.608  0.00  0.00    -0.149 NA
ATOM     25  N   LIG    1        5.699  -2.368  -1.430  0.00  0.00    -0.149 NA
BRANCH  25  26
ATOM     26  C   LIG    1        7.057  -2.710  -1.289  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1        7.509  -4.035  -1.375  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        8.870  -4.332  -1.266  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        9.793  -3.305  -1.079  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        9.359  -1.983  -1.004  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        7.997  -1.689  -1.114  0.00  0.00    +0.029 A 
ENDBRANCH  25  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10