REMARK  Name = BDB018713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.818  -0.008   0.503  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.064   0.390  -0.610  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -0.307   0.593  -0.479  0.00  0.00    +0.096 A 
ATOM      4  N   LIG    1       -1.067   1.017  -1.571  0.00  0.00    -0.278 N 
ATOM      5  H   LIG    1       -0.630   1.305  -2.438  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -2.423   1.188  -1.463  0.00  0.00    +0.263 C 
ATOM      7  C   LIG    1       -3.042   0.596  -0.183  0.00  0.00    +0.205 C 
ATOM      8  C   LIG    1       -4.384   1.284   0.131  0.00  0.00    +0.174 C 
ATOM      9  N   LIG    1       -5.266   0.220   0.722  0.00  0.00    -0.265 N 
ATOM     10  C   LIG    1       -4.548  -1.075   0.635  0.00  0.00    +0.121 C 
ATOM     11  O   LIG    1       -2.228   0.644   0.993  0.00  0.00    -0.457 OA
ATOM     12  C   LIG    1       -3.481  -0.852  -0.428  0.00  0.00    +0.079 C 
ATOM     13  O   LIG    1       -3.063   1.696  -2.378  0.00  0.00    -0.271 OA
ATOM     14  C   LIG    1       -0.898   0.406   0.769  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1       -0.212   0.028   1.861  0.00  0.00    -0.219 NA
ATOM     16  C   LIG    1        1.119  -0.173   1.703  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        6.056  -0.670   0.243  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        5.188  -1.308  -0.646  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        3.808  -1.091  -0.560  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        3.268  -0.235   0.415  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        4.155   0.398   1.301  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        5.536   0.185   1.218  0.00  0.00    +0.019 A 
BRANCH  17  24
ATOM     23  N   LIG    1        8.614  -1.069   0.082  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        7.470  -0.890   0.155  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH   1  20
BRANCH   9  25
ATOM     25  C   LIG    1       -6.260   0.469   1.582  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1       -7.118   0.684   2.328  0.00  0.00    -0.174 NA
ENDBRANCH   9  25
TORSDOF 3