REMARK  Name = BDB053634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.878   1.073   0.417  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1       -0.477   0.772   1.294  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.139   1.013  -0.536  0.00  0.00    +0.222 A 
ATOM      4  N   LIG    1        1.360   0.745  -0.035  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        2.323   0.727  -0.973  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        2.159   0.968  -2.322  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        3.446   0.834  -2.873  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1        4.370   0.532  -1.955  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1        0.874   1.259  -2.743  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        3.660   0.469  -0.799  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1       -0.126   1.290  -1.832  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1        4.329   0.154   0.467  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        5.309   1.274   0.838  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1        6.049   1.067   2.158  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1        6.892  -0.205   2.274  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1        7.417  -0.747   0.948  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        6.374  -1.397   0.028  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        4.907  -1.273   0.446  0.00  0.00    +0.027 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1       -4.852  -0.151   0.023  0.00  0.00    +0.094 A 
ATOM     20  C   LIG    1       -3.877  -0.462  -0.914  0.00  0.00    +0.139 A 
ATOM     21  N   LIG    1       -2.585  -0.070  -0.824  0.00  0.00    -0.238 NA
ATOM     22  C   LIG    1       -2.201   0.635   0.261  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -3.115   0.950   1.268  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -4.448   0.554   1.152  0.00  0.00    +0.031 A 
BRANCH  19  25
ATOM     25  N   LIG    1       -6.207  -0.594  -0.196  0.00  0.00    -0.077 N 
BRANCH  25  27
ATOM     26  C   LIG    1       -6.676   1.532  -1.792  0.00  0.00    +0.220 C 
ATOM     27  S   LIG    1       -7.340   0.634  -0.402  0.00  0.00    +0.061 S 
ATOM     28  O   LIG    1       -7.335   1.530   0.734  0.00  0.00    -0.154 OA
ATOM     29  O   LIG    1       -8.579   0.046  -0.870  0.00  0.00    -0.154 OA
ENDBRANCH  25  27
BRANCH  25  30
ATOM     30  S   LIG    1       -6.607  -1.904   0.786  0.00  0.00    +0.061 S 
ATOM     31  O   LIG    1       -6.912  -1.435   2.121  0.00  0.00    -0.154 OA
ATOM     32  O   LIG    1       -5.573  -2.907   0.597  0.00  0.00    -0.154 OA
ATOM     33  C   LIG    1       -8.087  -2.594   0.073  0.00  0.00    +0.220 C 
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 6