REMARK  Name = BDB053701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.131  -3.336   2.983  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1        1.040  -2.912   3.494  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        1.625  -1.817   2.954  0.00  0.00    +0.125 A 
ATOM      4  C   LIG    1        1.033  -1.141   1.877  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.416  -0.002   1.109  0.00  0.00    +0.107 A 
ATOM      6  C   LIG    1        0.374   0.275   0.234  0.00  0.00    +0.215 A 
ATOM      7  N   LIG    1       -0.534  -0.773   0.314  0.00  0.00    -0.308 N 
ATOM      8  C   LIG    1       -0.181  -1.607   1.366  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -0.795  -2.735   1.923  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        2.616   0.801   1.311  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        3.369   1.162   0.198  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        4.506   2.058   0.399  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        5.008   2.669  -0.920  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.366   1.690  -1.961  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        6.367   1.497  -1.922  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.635   0.420  -1.811  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.258   0.552  -1.132  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.958   1.120   2.449  0.00  0.00    -0.270 OA
ENDBRANCH   5  10
BRANCH   7  19
ATOM     19  C   LIG    1       -1.657  -0.988  -0.603  0.00  0.00    +0.091 C 
ATOM     20  C   LIG    1       -1.563  -2.314  -1.378  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -2.709  -2.447  -2.381  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -4.069  -2.272  -1.710  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -4.159  -0.951  -0.950  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.027  -0.806   0.066  0.00  0.00    +0.025 C 
ENDBRANCH   7  19
BRANCH   1  26
ATOM     25  C   LIG    1       -0.042  -5.003   4.623  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1       -0.750  -4.451   3.518  0.00  0.00    -0.480 OA
ENDBRANCH   1  26
BRANCH   6  27
ATOM     27  O   LIG    1        0.265   1.311  -0.605  0.00  0.00    -0.438 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -0.829   2.155  -0.623  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1       -1.437   2.688   0.529  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -0.932   2.445   1.923  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -2.574   3.499   0.372  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.064   3.816  -0.894  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -2.415   3.340  -2.029  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1       -1.287   2.520  -1.908  0.00  0.00    -0.008 A 
ATOM     35  C   LIG    1       -0.585   2.035  -3.147  0.00  0.00    +0.047 C 
ENDBRANCH  27  28
ENDBRANCH   6  27
TORSDOF 5