REMARK  Name = BDB014688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.419  -0.254   0.151  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1       -0.683  -1.234   0.168  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.115  -3.171  -0.570  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.756  -1.917  -0.029  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.915  -0.847   0.255  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.446  -0.998   0.323  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.774   0.327   0.273  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.399   0.679   0.197  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.258   2.010   0.185  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.509   2.501   0.237  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.703   3.930   0.220  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.450   1.527   0.314  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.922   1.668   0.403  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.509   0.336   0.914  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -6.976  -1.869   0.131  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.988  -0.140   0.072  0.00  0.00    +0.068 A 
ATOM     17  C   LIG    1        1.753  -1.317   0.040  0.00  0.00    +0.145 A 
ATOM     18  F   LIG    1        1.121  -2.503   0.081  0.00  0.00    -0.204 F 
ATOM     19  C   LIG    1        3.145  -1.306  -0.036  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        3.830  -0.089  -0.083  0.00  0.00    -0.012 A 
ATOM     21  C   LIG    1        3.083   1.096  -0.053  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        1.682   1.069   0.025  0.00  0.00    +0.027 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.280  -0.040  -0.168  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        6.143  -1.010   0.300  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        7.405  -0.565   0.034  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        8.646  -1.234   0.342  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        7.434   0.632  -0.576  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.142   0.951  -0.696  0.00  0.00    +0.142 A 
ENDBRANCH  20  23
ENDBRANCH   1  16
TORSDOF 3