REMARK  Name = BDB052539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.882  -0.887   0.258  0.00  0.00    +0.084 A 
ATOM      2  N   LIG    1        0.777  -0.216  -0.130  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1       -0.269  -0.184   0.710  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1       -0.265  -0.792   1.904  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.847  -1.458   2.258  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        1.963  -1.540   1.467  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.582  -0.802  -2.183  0.00  0.00    +0.073 C 
ATOM      8  C   LIG    1        5.132  -0.822  -1.852  0.00  0.00    +0.076 A 
ATOM      9  S   LIG    1        4.623  -0.874  -0.218  0.00  0.00    -0.071 S 
ATOM     10  C   LIG    1        2.974  -0.870  -0.722  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1        2.931  -0.821  -2.111  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        1.717  -0.798  -2.973  0.00  0.00    +0.067 C 
ATOM     13  N   LIG    1        4.168  -0.804  -2.743  0.00  0.00    -0.249 NA
ENDBRANCH   1  10
BRANCH   3  14
ATOM     14  N   LIG    1       -1.368   0.533   0.246  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1       -1.139   0.937  -0.649  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -2.620   0.849   0.780  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -3.076   0.410   2.024  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -4.349   0.758   2.498  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -5.186   1.590   1.757  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -4.770   1.979   0.486  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -3.499   1.630   0.013  0.00  0.00    +0.025 A 
BRANCH  19  22
ATOM     22  N   LIG    1       -6.496   1.838   2.181  0.00  0.00    -0.358 N 
ATOM     23  H   LIG    1       -6.907   2.672   1.774  0.00  0.00    +0.142 HD
ATOM     24  H   LIG    1       -6.610   1.804   3.189  0.00  0.00    +0.142 HD
ENDBRANCH  19  22
ENDBRANCH  14  16
ENDBRANCH   3  14
TORSDOF 4