REMARK  Name = BDB014216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.432  -0.184   0.469  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -2.099  -0.578   0.626  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1       -1.772  -1.773   1.251  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.362  -1.883   1.255  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        0.158  -0.761   0.632  0.00  0.00    +0.049 A 
ATOM      6  N   LIG    1       -2.699  -2.628   1.743  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -3.980  -2.235   1.583  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -0.914   0.020   0.260  0.00  0.00    -0.352 N 
ATOM      9  H   LIG    1       -0.856   0.907  -0.228  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.395  -1.060   0.973  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.540  -0.368   0.366  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.407  -1.152  -0.418  0.00  0.00    -0.038 A 
ATOM     13  C   LIG    1        1.975  -2.450  -1.043  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        3.731  -0.716  -0.612  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1        4.195   0.482  -0.061  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        3.329   1.258   0.702  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        2.013   0.835   0.913  0.00  0.00    +0.014 A 
BRANCH  15  18
ATOM     18  O   LIG    1        5.502   0.772  -0.343  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1        6.026   1.974   0.207  0.00  0.00    +0.277 C 
ENDBRANCH  15  18
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -3.750   1.099  -0.197  0.00  0.00    +0.341 C 
ATOM     21  O   LIG    1       -2.894   1.863  -0.617  0.00  0.00    -0.245 OA
BRANCH  20  23
ATOM     22  C   LIG    1       -5.478   2.502  -0.898  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1       -5.091   1.282  -0.263  0.00  0.00    -0.464 OA
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4