REMARK  Name = BDB014798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.785   0.046  -0.512  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -1.020  -0.052  -1.492  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -7.371   0.147  -2.586  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.865   0.096  -2.579  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -5.235  -0.029  -1.347  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.766  -0.169  -1.392  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -3.169   0.057  -0.051  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.813   0.149   0.367  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.746   0.339   1.690  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -3.022   0.392   2.108  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -3.289   0.617   3.507  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.912   0.203   1.101  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.390   0.178   1.164  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.926  -0.490  -0.121  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -5.238   0.175  -3.636  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.616   0.077  -0.329  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.239   0.189   0.916  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.636   0.215   1.032  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.462   0.128  -0.096  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        2.841   0.015  -1.346  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.444  -0.010  -1.459  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.929   0.158   0.028  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        5.576   1.194   0.719  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        6.969   1.225   0.837  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.751   0.212   0.275  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        9.247   0.261   0.372  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        7.119  -0.818  -0.428  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.725  -0.846  -0.545  0.00  0.00    +0.009 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3