REMARK  Name = BDB013849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.914  -0.338   0.005  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1       -0.709   0.651   0.199  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.272  -0.625   0.214  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1       -3.263   0.360   0.060  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1       -4.624   0.065   0.211  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -4.975  -1.243   0.466  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -4.077  -2.241   0.559  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -2.766  -1.913   0.423  0.00  0.00    +0.134 A 
BRANCH   4   9
ATOM      9  C   LIG    1       -2.880   1.761  -0.209  0.00  0.00    +0.339 C 
ATOM     10  O   LIG    1       -2.028   2.352   0.432  0.00  0.00    -0.245 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -3.560   2.300  -1.243  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1       -4.049   1.649  -1.781  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   4   9
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1        0.094  -1.205   0.606  0.00  0.00    +0.137 C 
BRANCH  13  18
ATOM     14  C   LIG    1        5.327   1.223  -0.221  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        3.995   0.570   0.005  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1        3.399  -0.192  -1.006  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        2.142  -0.770  -0.809  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        1.459  -0.595   0.402  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        2.046   0.192   1.402  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        3.303   0.770   1.204  0.00  0.00    +0.003 A 
ENDBRANCH  13  18
ENDBRANCH   1  13
TORSDOF 5