REMARK  Name = BDB015779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.719  -2.451  -1.395  0.00  0.00    +0.320 A 
ATOM      2  N   LIG    1       -1.854  -1.874  -0.992  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.730  -0.823  -0.162  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.498  -0.366   0.266  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.613  -1.022  -0.220  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.518  -2.070  -1.044  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.004  -0.219   0.302  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.124   1.119   0.420  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.299   1.724   0.844  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.337   3.175   0.943  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -5.441   0.994   1.164  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -6.502   1.475   1.552  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -5.328  -0.478   1.007  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -4.178  -1.027   0.598  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  C   LIG    1        0.330  -4.125  -2.642  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1       -0.894  -3.524  -2.242  0.00  0.00    -0.466 OA
ENDBRANCH   1  16
BRANCH   5  17
ATOM     17  N   LIG    1        1.908  -0.664   0.160  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1        2.517  -1.311  -0.346  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.273   0.714  -0.180  0.00  0.00    +0.158 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.752   0.942   0.068  0.00  0.00    +0.058 A 
ATOM     21  N   LIG    1        4.540   1.174  -1.014  0.00  0.00    -0.258 NA
ATOM     22  C   LIG    1        5.859   1.367  -0.792  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        6.442   1.339   0.463  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.626   1.095   1.561  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        4.263   0.892   1.365  0.00  0.00    +0.025 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 5