REMARK  Name = BDB059628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.427   1.401   0.010  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.273   1.499  -1.102  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -2.596   1.057  -1.026  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -3.086   0.504   0.163  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1       -2.244   0.404   1.276  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.922   0.846   1.198  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.483   0.042   0.245  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -4.835  -1.232  -0.062  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -6.298  -1.592   0.059  0.00  0.00    +0.279 A 
ATOM     10  O   LIG    1       -6.764  -2.698  -0.183  0.00  0.00    -0.265 OA
ATOM     11  N   LIG    1       -7.133  -0.542   0.485  0.00  0.00    -0.179 N 
ATOM     12  C   LIG    1       -6.702   0.737   0.781  0.00  0.00    +0.156 A 
ATOM     13  C   LIG    1       -7.814   1.450   1.154  0.00  0.00    +0.114 A 
ATOM     14  C   LIG    1       -8.876   0.534   1.056  0.00  0.00    +0.156 A 
ATOM     15  N   LIG    1       -8.480  -0.677   0.652  0.00  0.00    -0.169 NA
ATOM     16  N   LIG    1       -5.386   1.008   0.657  0.00  0.00    -0.338 N 
ATOM     17  H   LIG    1       -4.988   1.928   0.857  0.00  0.00    +0.167 HD
BRANCH   8  18
ATOM     18  C   LIG    1       -3.882  -2.328  -0.519  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -4.188  -2.814  -1.938  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -3.819  -3.496   0.469  0.00  0.00    +0.012 C 
ENDBRANCH   8  18
BRANCH  13  21
ATOM     21  C   LIG    1       -7.872   2.814   1.549  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -7.908   3.928   1.871  0.00  0.00    -0.191 NA
ENDBRANCH  13  21
ENDBRANCH   4   7
BRANCH   1  23
ATOM     23  C   LIG    1        1.011   1.860  -0.079  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.939   0.722  -0.540  0.00  0.00    +0.088 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.373   1.044  -0.668  0.00  0.00    -0.305 NA
ATOM     26  C   LIG    1        3.621   2.038  -1.710  0.00  0.00    +0.104 C 
BRANCH  25  27
ATOM     27  C   LIG    1        3.979   1.413   0.619  0.00  0.00    +0.084 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.516   1.383   0.623  0.00  0.00    +0.015 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.091   0.010   0.257  0.00  0.00    +0.001 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.619   0.011   0.347  0.00  0.00    -0.000 C 
BRANCH  30  32
ATOM     31  C   LIG    1        8.040  -1.868  -1.329  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        8.242  -1.364   0.092  0.00  0.00    -0.003 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 11