REMARK  Name = BDB016516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.111  -5.737  -0.711  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.139  -4.513  -0.566  0.00  0.00    +0.248 C 
ATOM      3  C   LIG    1       -1.017  -3.862   0.091  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -1.567  -2.663  -0.384  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -2.679  -2.092   0.253  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -3.271  -2.779   1.324  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -2.755  -3.998   1.766  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.159  -0.781  -0.156  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -2.963  -0.039  -1.346  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -3.455   1.201  -1.273  0.00  0.00    -0.179 NA
ATOM     11  N   LIG    1       -3.937   1.272  -0.018  0.00  0.00    -0.271 N 
ATOM     12  C   LIG    1       -4.449   2.528   0.496  0.00  0.00    +0.143 C 
ATOM     13  C   LIG    1       -3.816   2.996   1.815  0.00  0.00    +0.023 C 
ATOM     14  C   LIG    1       -2.453   3.688   1.688  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -1.285   2.852   1.161  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -0.940   1.626   2.010  0.00  0.00    +0.019 C 
ATOM     17  C   LIG    1        0.131   0.782   1.318  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        0.300  -0.515   1.950  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        0.020  -0.639   2.911  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        0.936  -1.623   1.419  0.00  0.00    +0.266 C 
ATOM     21  O   LIG    1        0.979  -2.655   2.088  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1        1.552  -1.533   0.081  0.00  0.00    +0.168 A 
ATOM     23  C   LIG    1        1.660  -2.530  -0.944  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1        2.503  -1.975  -1.884  0.00  0.00    +0.132 A 
ATOM     25  N   LIG    1        2.801  -0.722  -1.450  0.00  0.00    -0.266 N 
ATOM     26  N   LIG    1        2.228  -0.422  -0.280  0.00  0.00    -0.164 NA
ATOM     27  C   LIG    1       -3.876   0.081   0.647  0.00  0.00    +0.116 A 
ATOM     28  C   LIG    1       -1.630  -4.538   1.152  0.00  0.00    +0.013 A 
ATOM     29  N   LIG    1        1.170  -3.809  -1.139  0.00  0.00    -0.278 N 
ATOM     30  H   LIG    1        1.692  -4.382  -1.790  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  25  31
ATOM     31  C   LIG    1        3.698   0.231  -2.092  0.00  0.00    +0.112 C 
ATOM     32  C   LIG    1        4.992   0.411  -1.289  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        5.880   1.445  -1.962  0.00  0.00    +0.162 C 
ATOM     34  O   LIG    1        5.182   2.677  -2.130  0.00  0.00    -0.380 OA
ATOM     35  C   LIG    1        4.028   2.552  -2.963  0.00  0.00    +0.162 C 
ATOM     36  C   LIG    1        3.025   1.585  -2.349  0.00  0.00    +0.055 C 
ENDBRANCH  25  31
TORSDOF 1