REMARK  Name = BDB018975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.121  -1.207  -1.749  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1        1.434  -1.046  -1.227  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        2.440  -1.963  -1.598  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.736  -1.816  -1.081  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        4.012  -0.770  -0.206  0.00  0.00    +0.075 A 
ATOM      6  N   LIG    1        3.071   0.126   0.168  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1        2.132  -3.010  -2.482  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        0.845  -3.157  -2.996  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.829  -0.025  -0.350  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -0.156  -2.263  -2.631  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -5.725  -1.172   2.994  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -5.719   0.270   2.549  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -4.732   0.652   1.646  0.00  0.00    -0.297 N 
ATOM     14  C   LIG    1       -3.557  -0.170   1.374  0.00  0.00    +0.144 C 
ATOM     15  C   LIG    1       -2.812   0.271   0.137  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1       -1.718  -0.583  -0.279  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -0.989  -0.313  -1.373  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1       -1.321   0.894  -2.197  0.00  0.00    +0.259 A 
ATOM     19  N   LIG    1       -2.394   1.675  -1.748  0.00  0.00    -0.315 N 
ATOM     20  C   LIG    1       -2.738   2.848  -2.543  0.00  0.00    +0.152 C 
ATOM     21  O   LIG    1       -0.658   1.151  -3.201  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1       -3.113   1.370  -0.585  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -4.235   2.280  -0.141  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1       -4.617   2.068   1.322  0.00  0.00    +0.114 C 
ATOM     25  O   LIG    1       -6.574   1.048   2.972  0.00  0.00    -0.276 OA
ENDBRANCH   1  17
BRANCH   5  26
ATOM     26  C   LIG    1        5.338  -0.584   0.359  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        5.694   0.451   1.202  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        7.010   0.272   1.505  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        7.827   1.106   2.352  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.550  -0.815   0.924  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.532  -1.331   0.227  0.00  0.00    +0.144 A 
ENDBRANCH   5  26
TORSDOF 2