REMARK  Name = BDB059754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.339   1.170   1.627  0.00  0.00    +0.076 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.031   0.543   1.585  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        1.296  -0.525   0.719  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        2.573  -1.089   0.662  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        3.609  -0.590   1.456  0.00  0.00    +0.086 A 
ATOM      6  C   LIG    1        3.340   0.471   2.330  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        2.064   1.038   2.391  0.00  0.00    +0.006 A 
BRANCH   5   8
ATOM      8  N   LIG    1        4.878  -1.195   1.394  0.00  0.00    -0.149 NA
ATOM      9  N   LIG    1        5.733  -0.381   0.982  0.00  0.00    -0.149 NA
BRANCH   9  10
ATOM     10  C   LIG    1        6.996  -0.994   0.900  0.00  0.00    +0.086 A 
ATOM     11  C   LIG    1        7.619  -1.116  -0.347  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        8.884  -1.702  -0.458  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        9.546  -2.162   0.685  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1        8.939  -2.028   1.937  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        7.672  -1.445   2.042  0.00  0.00    +0.031 A 
BRANCH  13  16
ATOM     16  C   LIG    1       10.844  -2.763   0.574  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1       11.894  -3.248   0.485  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   9  10
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.477   2.313   0.620  0.00  0.00    +0.233 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.784   2.887   0.679  0.00  0.00    -0.492 OA
BRANCH  19  23
ATOM     20  C   LIG    1       -4.997   1.429  -1.533  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1       -3.784   0.750  -1.613  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -2.676   1.202  -0.885  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -2.774   2.345  -0.089  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -3.989   3.034  -0.038  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -5.093   2.586  -0.765  0.00  0.00    +0.049 A 
BRANCH  20  26
ATOM     26  O   LIG    1       -6.108   1.060  -2.233  0.00  0.00    -0.475 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -8.162  -0.073  -1.946  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1       -6.633  -0.250  -1.972  0.00  0.00    +0.200 C 
ATOM     29  C   LIG    1       -6.298  -1.147  -3.175  0.00  0.00    +0.067 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -6.234  -0.975  -0.661  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -5.586  -2.007  -0.567  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.657  -0.348   0.458  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -6.278  -0.879   1.189  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11