REMARK  Name = BDB015059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.073   1.569  -1.069  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.925   1.349   0.190  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -0.746   2.468   1.075  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1        0.219   2.610   1.130  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1       -2.425   1.223  -0.142  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1       -2.764   0.070  -0.999  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1       -4.143   0.179  -1.520  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1       -5.235  -0.166  -0.530  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1       -4.971  -0.988   0.581  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1       -6.009  -1.323   1.460  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -7.306  -0.866   1.227  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -7.574  -0.068   0.118  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.565  -1.454   0.864  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1       -6.545   0.278  -0.759  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.616  -1.232  -0.324  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        1.311   1.694  -0.707  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.067   0.561  -0.591  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        3.395   0.791  -0.210  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        4.309  -0.263  -0.040  0.00  0.00    -0.014 A 
ATOM     20  C   LIG    1        3.852  -1.569  -0.266  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        2.530  -1.809  -0.647  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.640  -0.746  -0.810  0.00  0.00    +0.045 A 
BRANCH  19  23
ATOM     23  C   LIG    1        5.702  -0.003   0.361  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        6.777  -0.522  -0.379  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        8.095  -0.273   0.008  0.00  0.00    +0.042 A 
ATOM     26 CL   LIG    1        9.393  -0.920  -0.919  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        8.369   0.495   1.136  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        7.316   1.019   1.883  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.996   0.771   1.498  0.00  0.00    +0.008 A 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7