REMARK  Name = BDB057711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.787  -0.340   0.607  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        0.124  -1.049  -0.179  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        1.356  -1.558   0.468  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1        1.069  -2.881   1.181  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1        0.029  -3.716   0.697  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -0.215  -4.956   1.308  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        0.570  -5.385   2.374  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        1.603  -4.579   2.843  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -0.890  -3.271  -0.425  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1        1.854  -3.340   2.250  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -0.403  -2.010  -1.148  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1       -0.698  -0.286   1.837  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -2.785   1.171   0.909  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -1.964   0.336  -0.109  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -1.490   1.236  -1.257  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -2.667   1.806  -2.050  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1       -3.909   2.058  -1.197  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1       -3.549   2.342   0.257  0.00  0.00    +0.015 C 
BRANCH  13  20
ATOM     19  O   LIG    1       -4.923   0.100   1.354  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1       -3.743   0.241   1.639  0.00  0.00    +0.309 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.157  -0.463   2.634  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1       -2.178  -0.323   2.693  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  C   LIG    1        2.157  -0.474   1.246  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.481   0.683   0.417  0.00  0.00    -0.232 N 
ATOM     25  C   LIG    1        3.411   0.647  -0.586  0.00  0.00    +0.254 C 
ATOM     26  O   LIG    1        4.113  -0.280  -0.943  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        3.406   1.967  -1.209  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        2.456   2.731  -0.557  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        2.195   4.038  -0.918  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        2.939   4.569  -1.976  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        3.909   3.790  -2.641  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        4.152   2.467  -2.259  0.00  0.00    +0.014 A 
ATOM     33  C   LIG    1        1.854   1.897   0.481  0.00  0.00    +0.254 C 
ATOM     34  O   LIG    1        0.958   2.276   1.210  0.00  0.00    -0.270 OA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5