REMARK  Name = BDB014689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.143  -0.457   0.567  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.033   0.403   0.057  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -2.706   2.453  -3.437  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -3.944   1.837  -2.832  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -3.761   0.952  -1.776  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.470   0.831  -1.065  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.427  -0.413  -0.252  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.377  -1.008   0.497  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.802  -2.134   1.084  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -3.086  -2.267   0.711  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -3.836  -3.410   1.171  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.512  -1.245  -0.074  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.852  -1.029  -0.666  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -4.968   0.451  -1.084  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -5.053   2.116  -3.286  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.034  -0.853   1.250  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1        2.188  -0.056   1.102  0.00  0.00    +0.152 A 
ATOM     18  F   LIG    1        2.084   1.041   0.327  0.00  0.00    -0.203 F 
ATOM     19  C   LIG    1        3.401  -0.361   1.739  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        3.452  -1.500   2.550  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        2.323  -2.307   2.708  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        1.126  -1.984   2.062  0.00  0.00    +0.026 A 
BRANCH  19  23
ATOM     23  C   LIG    1        4.585   0.468   1.588  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        4.936   1.165   0.450  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        6.117   1.789   0.728  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        6.878   2.642  -0.153  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        6.576   1.540   1.967  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.643   0.737   2.488  0.00  0.00    +0.143 A 
ENDBRANCH  19  23
ENDBRANCH   1  16
TORSDOF 3