REMARK  Name = BDB059627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.402   0.223   0.585  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -3.868   0.247  -0.689  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1       -5.311  -0.146  -0.906  0.00  0.00    +0.279 A 
ATOM      4  O   LIG    1       -5.865  -0.183  -1.997  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1       -6.013  -0.485   0.266  0.00  0.00    -0.179 N 
ATOM      6  C   LIG    1       -5.474  -0.482   1.538  0.00  0.00    +0.156 A 
ATOM      7  C   LIG    1       -6.476  -0.872   2.391  0.00  0.00    +0.114 A 
ATOM      8  C   LIG    1       -7.588  -1.092   1.560  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -7.324  -0.862   0.270  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1       -4.178  -0.129   1.677  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1       -3.703  -0.114   2.581  0.00  0.00    +0.167 HD
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        0.342  -0.066   1.064  0.00  0.00    -0.033 A 
ATOM     13  C   LIG    1       -0.994  -0.388   0.779  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.008   0.572   0.908  0.00  0.00    -0.001 A 
ATOM     15  C   LIG    1       -1.688   1.860   1.348  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -0.367   2.187   1.649  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        0.640   1.231   1.508  0.00  0.00    +0.005 A 
BRANCH  12  18
ATOM     18  C   LIG    1        1.435  -1.103   0.899  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.057  -1.209  -0.430  0.00  0.00    -0.301 NA
ATOM     20  C   LIG    1        1.118  -1.629  -1.467  0.00  0.00    +0.105 C 
BRANCH  19  21
ATOM     21  C   LIG    1        2.820  -0.031  -0.860  0.00  0.00    +0.084 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.057   0.283  -0.003  0.00  0.00    +0.015 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.069  -0.867   0.031  0.00  0.00    +0.001 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.284  -0.582   0.920  0.00  0.00    -0.000 C 
BRANCH  24  26
ATOM     25  C   LIG    1        7.705   0.539  -0.881  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        7.131   0.630   0.524  0.00  0.00    -0.003 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  12  18
ENDBRANCH   1  14
BRANCH   2  27
ATOM     27  C   LIG    1       -3.060   0.638  -1.919  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -2.875  -0.532  -2.889  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -3.629   1.869  -2.632  0.00  0.00    +0.012 C 
ENDBRANCH   2  27
BRANCH   7  30
ATOM     30  C   LIG    1       -6.399  -1.018   3.802  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1       -6.324  -1.133   4.955  0.00  0.00    -0.191 NA
ENDBRANCH   7  30
TORSDOF 10