REMARK  Name = BDB064052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.495  -0.897   0.043  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1        0.731  -1.873   0.148  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1        1.566  -0.040  -0.172  0.00  0.00    +0.308 C 
ATOM      4  N   LIG    1        2.753  -0.659   0.195  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        2.657  -1.474   0.782  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        1.474   1.094  -0.619  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.066  -0.168   0.026  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        5.096  -0.889   0.651  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        6.417  -0.437   0.500  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1        6.744   0.694  -0.251  0.00  0.00    +0.102 A 
ATOM     11  N   LIG    1        8.100   0.997  -0.296  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1        8.822   0.135   0.398  0.00  0.00    -0.109 NA
ATOM     13  C   LIG    1        5.702   1.399  -0.879  0.00  0.00    +0.032 A 
ATOM     14  S   LIG    1        7.900  -1.057   1.119  0.00  0.00    +0.037 S 
ATOM     15  C   LIG    1        4.376   0.960  -0.736  0.00  0.00    +0.025 A 
ENDBRANCH   4   7
BRANCH   1  20
ATOM     16  C   LIG    1       -3.152  -1.485  -0.142  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -3.652  -0.193  -0.327  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -2.772   0.897  -0.388  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1       -1.389   0.686  -0.269  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -0.879  -0.603  -0.094  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1       -1.769  -1.681  -0.023  0.00  0.00    +0.038 A 
BRANCH  16  22
ATOM     22  C   LIG    1       -4.034  -2.680  -0.060  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1       -3.609  -3.811   0.120  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1       -6.244  -3.430  -0.148  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1       -5.334  -2.332  -0.212  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  16  22
BRANCH  18  26
ATOM     26  C   LIG    1       -3.360   2.252  -0.577  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1       -4.558   2.449  -0.706  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -2.395   3.203  -0.579  0.00  0.00    -0.464 OA
ATOM     29  C   LIG    1       -2.884   4.532  -0.760  0.00  0.00    +0.280 C 
ENDBRANCH  26  28
ENDBRANCH  18  26
ENDBRANCH   1  20
TORSDOF 6