REMARK  Name = BDB046884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.249   0.432   0.709  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -2.084   0.682  -0.016  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.571  -0.329  -0.821  0.00  0.00    +0.056 A 
ATOM      4  N   LIG    1       -2.157  -1.550  -0.914  0.00  0.00    -0.259 NA
ATOM      5  C   LIG    1       -3.284  -1.763  -0.200  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1       -3.866  -0.814   0.618  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.330   2.635   1.669  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1       -3.792   1.515   1.560  0.00  0.00    +0.337 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -4.894   1.144   2.234  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1       -5.135   1.944   2.748  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  11
ATOM     11  C   LIG    1       -0.291  -0.108  -1.601  0.00  0.00    +0.137 C 
BRANCH  11  12
ATOM     12  N   LIG    1        0.883  -0.117  -0.722  0.00  0.00    -0.304 NA
ATOM     13  H   LIG    1        0.915  -1.024  -0.253  0.00  0.00    +0.123 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.111   0.032  -1.503  0.00  0.00    +0.156 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.299  -0.037  -0.610  0.00  0.00    +0.119 A 
ATOM     16  O   LIG    1        4.111  -1.125  -0.751  0.00  0.00    -0.467 OA
ATOM     17  C   LIG    1        5.118  -0.987   0.150  0.00  0.00    +0.195 A 
ATOM     18  C   LIG    1        4.965   0.175   0.870  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        3.789   0.790   0.381  0.00  0.00    +0.046 A 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   3  11
TORSDOF 6