REMARK  Name = BDB012196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.082  -3.489   0.760  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.135  -2.429   0.174  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.838  -1.442   0.035  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -2.161  -1.669   0.609  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -2.701  -0.427   1.312  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.548   0.853   0.471  0.00  0.00    +0.095 C 
ATOM      7  C   LIG    1       -1.911   0.604  -0.900  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.638  -0.219  -0.743  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1       -3.764   1.640   0.378  0.00  0.00    -0.289 N 
ATOM     10  C   LIG    1       -4.996   1.261  -0.184  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1       -5.852   2.365  -0.104  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1       -7.147   2.342  -0.564  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -7.577   1.144  -1.127  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1       -6.735   0.022  -1.222  0.00  0.00    +0.040 A 
ATOM     15  F   LIG    1       -8.829   1.056  -1.596  0.00  0.00    -0.205 F 
ATOM     16  N   LIG    1       -5.160   3.413   0.487  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1       -5.497   4.344   0.671  0.00  0.00    +0.170 HD
ATOM     18  C   LIG    1       -5.419   0.074  -0.745  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1       -3.855   2.994   0.782  0.00  0.00    +0.328 A 
ATOM     20  O   LIG    1       -2.986   3.687   1.283  0.00  0.00    -0.247 OA
ENDBRANCH   6   9
BRANCH   2  21
ATOM     21  C   LIG    1        1.496  -2.128  -0.439  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.519  -3.229  -0.142  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.868  -2.967  -0.810  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.565  -1.768  -0.213  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1        5.149  -1.958   1.010  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1        5.123  -2.859   1.466  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        5.807  -0.967   1.691  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1        6.331  -1.162   2.781  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        5.841   0.346   1.025  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1        5.213   0.452  -0.220  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1        5.231   1.686  -0.872  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        5.863   2.789  -0.290  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        6.485   2.667   0.953  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        6.476   1.442   1.617  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1        4.565  -0.634  -0.835  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 5