REMARK  Name = BDB058660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.521  -3.376  -1.760  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.847  -2.128  -1.004  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        1.867  -1.073  -0.672  0.00  0.00    +0.063 C 
ATOM      4  C   LIG    1        0.575  -1.148  -1.020  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        2.666  -0.067   0.080  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        2.264   0.973   0.565  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        3.958  -0.630   0.081  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        4.046  -1.857  -0.570  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -0.412  -0.167  -0.756  0.00  0.00    +0.040 A 
ATOM     10  N   LIG    1       -1.712  -0.601  -0.612  0.00  0.00    -0.355 N 
ATOM     11  H   LIG    1       -2.005  -1.571  -0.645  0.00  0.00    +0.166 HD
ATOM     12  C   LIG    1       -2.562   0.451  -0.335  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1       -1.776   1.591  -0.360  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -0.441   1.205  -0.627  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -4.011   0.310  -0.124  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1       -4.630  -0.673   0.660  0.00  0.00    +0.136 A 
ATOM     17  C   LIG    1       -6.021  -0.715   0.852  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -6.845   0.242   0.248  0.00  0.00    -0.045 A 
ATOM     19  C   LIG    1       -8.333   0.180   0.465  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.258   1.232  -0.561  0.00  0.00    -0.047 A 
ATOM     21  C   LIG    1       -7.092   2.291  -1.234  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -4.858   1.258  -0.727  0.00  0.00    +0.015 A 
BRANCH  16  23
ATOM     23  N   LIG    1       -3.858  -1.700   1.331  0.00  0.00    +0.057 N 
ATOM     24  O   LIG    1       -3.888  -1.718   2.567  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1       -3.261  -2.518   0.612  0.00  0.00    -0.126 OA
ENDBRANCH  16  23
ENDBRANCH  12  15
ENDBRANCH   4   9
BRANCH   7  26
ATOM     26  C   LIG    1        5.137  -0.097   0.664  0.00  0.00    +0.060 A 
ATOM     27  C   LIG    1        5.141   1.125   1.351  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1        6.319   1.633   1.914  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        7.517   0.928   1.786  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        7.532  -0.301   1.124  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1        6.351  -0.802   0.566  0.00  0.00    +0.026 A 
BRANCH  29  32
ATOM     32  C   LIG    1        8.744   1.496   2.389  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1        8.762   2.048   3.474  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1        9.825   1.375   1.589  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        9.626   1.067   0.685  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH   7  26
TORSDOF 6