REMARK  Name = BDB020578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.157   0.051  -0.119  0.00  0.00    +0.113 A 
ATOM      2  C   LIG    1       -0.787   0.109   1.113  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -0.260   0.246   2.484  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -1.305   0.300   3.500  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.607  -0.117   3.258  0.00  0.00    +0.238 C 
ATOM      6  C   LIG    1       -3.156   0.075   1.851  0.00  0.00    +0.171 C 
ATOM      7  C   LIG    1       -3.847   1.437   1.793  0.00  0.00    +0.041 C 
ATOM      8  O   LIG    1       -3.356  -0.504   4.159  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -0.833   0.283   4.874  0.00  0.00    +0.132 C 
ATOM     10  N   LIG    1       -2.120  -0.028   0.842  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -2.267  -0.246  -0.507  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -1.093  -0.181  -1.103  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  22
ATOM     13  C   LIG    1        0.928   2.038  -5.035  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        1.742   1.591  -3.857  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        1.110   1.122  -2.696  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        1.837   0.649  -1.570  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        3.247   0.674  -1.654  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        4.019   0.244  -0.570  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        3.392  -0.198   0.585  0.00  0.00    +0.080 A 
ATOM     20  N   LIG    1        2.048  -0.243   0.701  0.00  0.00    -0.244 NA
ATOM     21  C   LIG    1        3.876   1.130  -2.825  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        1.288   0.163  -0.356  0.00  0.00    +0.099 A 
ATOM     23  C   LIG    1        3.133   1.577  -3.917  0.00  0.00    +0.004 A 
BRANCH  19  24
ATOM     24  C   LIG    1        4.101  -0.664   1.779  0.00  0.00    +0.057 A 
ATOM     25  S   LIG    1        5.734  -0.249   2.120  0.00  0.00    -0.071 S 
ATOM     26  C   LIG    1        5.664  -1.142   3.584  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1        6.858  -1.218   4.469  0.00  0.00    +0.073 C 
ATOM     28  N   LIG    1        4.513  -1.723   3.840  0.00  0.00    -0.252 NA
ATOM     29  C   LIG    1        3.627  -1.452   2.815  0.00  0.00    +0.128 A 
ENDBRANCH  19  24
ENDBRANCH   1  22
BRANCH  11  30
ATOM     30  C   LIG    1       -3.568  -0.525  -1.207  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -3.734   0.383  -2.438  0.00  0.00    +0.039 C 
ATOM     32  C   LIG    1       -3.331  -0.355  -3.705  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1       -4.162  -1.492  -3.947  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -4.578  -2.202  -2.781  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -3.648  -2.012  -1.593  0.00  0.00    +0.039 C 
ENDBRANCH  11  30
TORSDOF 3