REMARK  Name = BDB014802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.197   0.457  -0.047  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.470   1.348  -0.441  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.852   1.959  -1.112  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.348   2.033  -1.076  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.675   1.052  -0.359  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.211   1.216  -0.272  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.562  -0.038   0.194  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.191  -0.395   0.309  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.075  -1.634   0.802  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.333  -2.070   0.975  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.548  -3.406   1.476  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.261  -1.137   0.645  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.737  -1.234   0.710  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.327   0.192   0.655  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -4.759   2.934  -1.675  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.210   0.329  -0.007  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.879  -0.796   0.479  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.280  -0.861   0.496  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.062   0.202   0.025  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        3.395   1.332  -0.463  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.995   1.394  -0.477  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.533   0.133   0.045  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        6.226  -0.172   1.231  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        7.622  -0.236   1.251  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        8.335   0.002   0.083  0.00  0.00    +0.123 A 
ATOM     26  F   LIG    1        9.673  -0.060   0.102  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        7.679   0.304  -1.103  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        6.284   0.369  -1.121  0.00  0.00    +0.011 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3