REMARK  Name = BDB017740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.574   1.203  -0.525  0.00  0.00    -0.237 N 
ATOM      2  C   LIG    1       -0.836   0.014  -0.693  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.745  -1.051  -0.714  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.341  -2.365  -0.863  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.028  -2.611  -0.990  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        0.945  -1.541  -0.970  0.00  0.00    +0.107 A 
ATOM      7  N   LIG    1       -3.034  -0.526  -0.570  0.00  0.00    -0.291 N 
ATOM      8  C   LIG    1        0.521  -0.213  -0.828  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -2.953   0.884  -0.441  0.00  0.00    +0.336 A 
ATOM     10  O   LIG    1       -3.917   1.618  -0.281  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -0.587   6.260  -0.074  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1       -0.538   4.785  -0.220  0.00  0.00    +0.101 A 
ATOM     13  S   LIG    1       -1.976   3.854  -0.246  0.00  0.00    -0.033 S 
ATOM     14  C   LIG    1       -1.002   2.453  -0.429  0.00  0.00    +0.204 A 
ATOM     15  N   LIG    1        0.288   2.728  -0.461  0.00  0.00    -0.123 NA
ATOM     16  N   LIG    1        0.561   4.073  -0.338  0.00  0.00    -0.145 NA
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  S   LIG    1        2.685  -1.865  -1.139  0.00  0.00    +0.059 S 
ATOM     18  O   LIG    1        3.161  -1.087  -2.258  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        2.880  -3.298  -1.062  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1        3.280  -1.251   0.332  0.00  0.00    -0.184 NA
ATOM     21  H   LIG    1        3.452  -2.049   0.947  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.459  -0.353   0.240  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        5.594  -0.575   1.218  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        5.789  -0.888  -0.235  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        4.106   1.081  -0.068  0.00  0.00    +0.029 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   6  17
BRANCH   7  26
ATOM     26  C   LIG    1       -4.261  -1.276  -0.487  0.00  0.00    +0.130 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.596  -1.583   0.942  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -4.104  -2.836   1.621  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -5.559  -2.696   1.268  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6