REMARK  Name = BDB014219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.456  -0.144  -0.822  0.00  0.00    +0.049 A 
ATOM      2  N   LIG    1        1.401  -0.314   0.165  0.00  0.00    -0.352 N 
ATOM      3  H   LIG    1        1.204  -0.525   1.136  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        2.669  -0.165  -0.342  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        2.530   0.086  -1.701  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        3.582   0.280  -2.531  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.794   0.215  -1.942  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        5.025  -0.030  -0.598  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        3.934  -0.230   0.248  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        1.147   0.088  -1.999  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.741  -0.613  -0.132  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.042   0.389   0.542  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1       -1.662   0.586   0.323  0.00  0.00    -0.038 A 
ATOM     14  C   LIG    1       -0.967   1.696   1.066  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -0.978  -0.262  -0.571  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -1.692  -1.258  -1.250  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -3.059  -1.432  -1.030  0.00  0.00    +0.046 A 
BRANCH  11  19
ATOM     18  C   LIG    1       -5.825  -0.065   0.874  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -5.074  -0.893  -0.004  0.00  0.00    -0.495 OA
ENDBRANCH  11  19
ENDBRANCH   1  15
BRANCH   9  20
ATOM     20  C   LIG    1        4.160  -0.493   1.681  0.00  0.00    +0.339 C 
ATOM     21  O   LIG    1        5.247  -0.559   2.224  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        3.020  -0.660   2.378  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        3.342  -0.828   3.291  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   9  20
TORSDOF 4