REMARK  Name = BDB049366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.035  -1.299   0.406  0.00  0.00    +0.020 A 
ATOM      2  N   LIG    1       -0.766  -0.192   0.017  0.00  0.00    -0.343 N 
ATOM      3  C   LIG    1       -2.106  -0.520  -0.097  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -2.223  -1.875   0.216  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -3.494  -2.483   0.178  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -4.619  -1.722  -0.172  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1       -4.477  -0.366  -0.474  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -3.224   0.257  -0.443  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.923  -2.349   0.530  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.929  -2.335  -0.210  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -6.284  -3.392  -1.020  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -5.582  -4.211  -2.026  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -7.591  -3.700  -0.804  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -8.121  -2.845   0.144  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1       -7.121  -2.029   0.499  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -7.346  -0.980   1.520  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  C   LIG    1        1.445  -1.291   0.643  0.00  0.00    +0.058 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.225  -1.634  -0.631  0.00  0.00    +0.041 C 
BRANCH  18  22
ATOM     19  C   LIG    1        6.462  -0.980  -0.063  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        5.681  -0.015  -0.700  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.311  -0.232  -0.889  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.706  -1.416  -0.447  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1        4.493  -2.378   0.193  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        5.860  -2.159   0.381  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        8.469   0.276  -0.274  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        7.804  -0.894   0.185  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  27
ATOM     27  C   LIG    1       -0.217   1.135  -0.245  0.00  0.00    +0.137 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -0.234   2.018   1.013  0.00  0.00    +0.106 C 
BRANCH  28  29
ATOM     29  N   LIG    1        0.465   3.311   0.941  0.00  0.00    -0.296 NA
ATOM     30  C   LIG    1       -0.028   4.191  -0.133  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1        0.707   5.542  -0.117  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1        2.124   5.359  -0.248  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        2.615   4.547   0.828  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1        1.930   3.171   0.838  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 8