REMARK  Name = BDB049897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.237  -0.550   0.808  0.00  0.00    -0.302 N 
ATOM      2  H   LIG    1       -0.811  -1.166   1.373  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        1.113  -0.814   0.794  0.00  0.00    +0.214 C 
ATOM      4  O   LIG    1        1.965   0.017   0.495  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -0.726   0.826   0.675  0.00  0.00    +0.182 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.828   1.430   2.081  0.00  0.00    +0.327 C 
ATOM      7  O   LIG    1       -0.958   0.772   3.108  0.00  0.00    -0.249 OA
BRANCH   6   9
ATOM      8  C   LIG    1       -0.887   3.433   3.293  0.00  0.00    +0.280 C 
ATOM      9  O   LIG    1       -0.797   2.791   2.020  0.00  0.00    -0.467 OA
ENDBRANCH   6   9
ENDBRANCH   5   6
BRANCH   5  10
ATOM     10  C   LIG    1       -2.108   0.859   0.011  0.00  0.00    +0.036 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -2.150   0.280  -1.418  0.00  0.00    -0.015 C 
ATOM     12  C   LIG    1       -3.589   0.300  -1.941  0.00  0.00    +0.007 C 
ATOM     13  C   LIG    1       -1.240   1.041  -2.383  0.00  0.00    +0.007 C 
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   5
BRANCH   3  14
ATOM     14  C   LIG    1        1.447  -2.250   1.147  0.00  0.00    +0.105 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.950  -2.497   1.184  0.00  0.00    +0.107 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.512  -2.612  -0.214  0.00  0.00    +0.236 C 
ATOM     17  N   LIG    1        3.917  -1.422  -0.771  0.00  0.00    -0.197 N 
ATOM     18  H   LIG    1        3.451  -0.554  -0.489  0.00  0.00    +0.182 HD
ATOM     19  O   LIG    1        3.579  -3.681  -0.819  0.00  0.00    -0.274 OA
BRANCH  17  20
ATOM     20  O   LIG    1        4.287  -1.509  -2.138  0.00  0.00    -0.295 OA
ATOM     21  H   LIG    1        4.208  -2.472  -2.316  0.00  0.00    +0.241 HD
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 9