REMARK  Name = BDB014258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.424  -0.223   0.486  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -2.253  -0.082  -0.263  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.979   1.102  -0.939  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.737   0.943  -1.594  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.264  -0.327  -1.310  0.00  0.00    +0.056 A 
ATOM      6  N   LIG    1       -2.807   2.172  -0.922  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -3.932   2.016  -0.194  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -1.203  -0.935  -0.510  0.00  0.00    -0.353 N 
ATOM      9  H   LIG    1       -1.155  -1.875  -0.133  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.283   0.876   0.511  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -4.791  -1.604   1.887  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -3.780  -1.445   1.230  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -2.857  -2.421   1.124  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -3.240  -3.142   1.672  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        0.982  -1.027  -1.734  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.059  -0.090  -1.751  0.00  0.00    -0.486 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.805   0.075  -0.616  0.00  0.00    +0.122 A 
ATOM     18  C   LIG    1        2.465  -0.364   0.663  0.00  0.00    +0.065 A 
ATOM     19  C   LIG    1        3.326  -0.111   1.734  0.00  0.00    +0.044 A 
ATOM     20 CL   LIG    1        2.903  -0.660   3.311  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        4.521   0.580   1.543  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.857   1.030   0.269  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.998   0.780  -0.803  0.00  0.00    +0.046 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 5