REMARK  Name = BDB049652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.736  -1.175  -1.032  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.896  -0.377  -0.112  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.808   0.161   0.602  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -3.127   0.082   0.306  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -3.115   0.983   0.762  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -4.396  -0.378  -0.100  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -4.604  -1.578  -0.789  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -5.899  -1.993  -1.151  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -6.990  -1.182  -0.817  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -6.780   0.002  -0.121  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -7.829   0.767   0.205  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -5.501   0.407   0.242  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -6.098  -3.277  -1.916  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -7.361  -3.777  -1.796  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -5.884  -3.126  -3.251  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -5.268  -4.276  -1.508  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   4   6
BRANCH   3  17
ATOM     17  C   LIG    1        0.543  -0.254   0.157  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.631   0.822   0.349  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        3.023   0.220   0.575  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1        3.191  -0.971  -0.257  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1        2.309  -2.061   0.203  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        0.974  -1.582   0.787  0.00  0.00    +0.038 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.583  -1.428  -0.366  0.00  0.00    +0.090 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.298  -0.841  -1.586  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        5.613   0.643  -1.529  0.00  0.00    +0.164 C 
ATOM     26  O   LIG    1        6.738   0.864  -2.398  0.00  0.00    -0.379 OA
ATOM     27  C   LIG    1        7.303  -0.408  -2.738  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1        6.684  -1.421  -1.799  0.00  0.00    +0.035 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   3  29
ATOM     29  C   LIG    1       -0.967   0.626   1.987  0.00  0.00    +0.144 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.458   2.053   2.124  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1       -1.226   3.025   1.139  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -1.691   4.330   1.304  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.384   4.684   2.459  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.610   3.735   3.453  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -2.145   2.428   3.289  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 7