REMARK  Name = BDB023953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.302  -3.837   3.781  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.023  -3.043   3.713  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.823  -2.246   2.594  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.517  -1.564   2.514  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.559  -0.469   1.505  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.583   0.497   1.157  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.022   1.278   0.159  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.267   0.837  -0.120  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.619  -0.230   0.655  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.876  -1.020   0.666  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.598  -2.380   1.341  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.208  -3.108   4.634  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.744   0.683   1.738  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.929   0.519   0.969  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.180   0.686   1.591  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        4.353   0.514   0.838  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        4.294   0.186  -0.515  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        3.106   0.002  -1.120  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        3.239   1.016   2.955  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.074   1.184   3.703  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.974   0.179  -0.390  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        0.832   1.020   3.098  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.451  -0.007  -1.254  0.00  0.00    -0.309 N 
ATOM     24  C   LIG    1        6.603   0.891  -1.052  0.00  0.00    +0.181 C 
ATOM     25  C   LIG    1        7.256   1.007  -2.434  0.00  0.00    +0.266 C 
ATOM     26  F   LIG    1        8.604   0.979  -2.368  0.00  0.00    -0.204 F 
ATOM     27  F   LIG    1        6.903   2.168  -3.037  0.00  0.00    -0.204 F 
ATOM     28  C   LIG    1        6.718  -0.170  -3.217  0.00  0.00    +0.096 C 
ATOM     29  C   LIG    1        5.294  -0.267  -2.688  0.00  0.00    +0.112 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -2.993   1.493  -1.202  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -3.067   0.621  -2.455  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.754   1.371  -3.591  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -4.717   2.328  -3.148  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -5.363   1.962  -1.937  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -4.370   2.030  -0.785  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3