REMARK  Name = BDB004933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.708   1.399   4.395  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -0.396   0.435   3.245  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.737   0.805   2.296  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        1.086  -0.087   1.260  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.130   0.188   0.366  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.848   1.373   0.517  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        2.521   2.268   1.537  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.475   1.988   2.419  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1        2.382  -0.766  -0.640  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        1.766  -1.569  -0.646  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        3.359  -0.725  -1.625  0.00  0.00    +0.220 C 
ATOM     12  O   LIG    1        4.192   0.159  -1.783  0.00  0.00    -0.275 OA
BRANCH  11  13
ATOM     13  C   LIG    1        3.292  -1.954  -2.538  0.00  0.00    +0.075 C 
ATOM     14  C   LIG    1        3.683  -3.231  -1.773  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1        4.795  -3.885  -2.584  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1        5.448  -2.727  -3.316  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1        4.257  -1.875  -3.728  0.00  0.00    +0.013 C 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  18
ATOM     18  N   LIG    1       -1.621   0.028   2.533  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1       -2.286  -0.391   3.176  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.309   0.954   1.725  0.00  0.00    +0.130 A 
ATOM     21  C   LIG    1       -3.427   0.519   0.980  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1       -4.080   1.488   0.192  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -5.208   1.074  -0.549  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1       -5.660  -0.259  -0.513  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -5.001  -1.208   0.251  0.00  0.00    +0.002 A 
ATOM     26  N   LIG    1       -3.624   2.759   0.158  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1       -2.541   3.055   0.883  0.00  0.00    +0.223 A 
ATOM     28  C   LIG    1       -3.891  -0.821   0.990  0.00  0.00    +0.013 A 
ATOM     29  N   LIG    1       -1.871   2.217   1.669  0.00  0.00    -0.220 NA
BRANCH  23  30
ATOM     30  C   LIG    1       -6.001   1.998  -1.421  0.00  0.00    +0.244 C 
ATOM     31  O   LIG    1       -6.985   1.607  -2.041  0.00  0.00    -0.270 OA
ATOM     32  N   LIG    1       -5.609   3.299  -1.519  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1       -6.130   3.926  -2.114  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1       -4.790   3.635  -1.020  0.00  0.00    +0.145 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 6