REMARK  Name = BDB061069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.510   2.041   0.439  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1        2.033   0.758   0.210  0.00  0.00    +0.090 A 
ATOM      3  N   LIG    1        0.685   0.916  -0.064  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.178  -0.149  -0.404  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        0.292  -1.366  -0.432  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        1.625  -1.548  -0.132  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.393   2.246   0.078  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1        2.518  -0.581   0.178  0.00  0.00    +0.026 A 
ATOM      9  N   LIG    1        1.458   2.957   0.364  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.880  -1.038   0.498  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        4.790  -1.333  -0.527  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        6.067  -1.805  -0.220  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.442  -1.989   1.111  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.543  -1.700   2.136  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.264  -1.227   1.832  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   1  19
ATOM     16  N   LIG    1        3.934   3.836   1.009  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        3.095   4.393   0.907  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        4.838   4.269   1.112  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1        3.871   2.499   0.723  0.00  0.00    +0.262 C 
ATOM     20  O   LIG    1        4.885   1.814   0.697  0.00  0.00    -0.269 OA
ENDBRANCH   1  19
BRANCH   4  21
ATOM     21  N   LIG    1       -1.499   0.127  -0.696  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -1.702   1.046  -1.073  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.365  -0.901  -1.251  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.787  -0.422  -1.217  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.509  -0.325  -0.031  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.090  -0.592   1.366  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.460  -0.563   2.045  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.375   0.204   1.227  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.814   0.152  -0.022  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.458   0.554  -1.174  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -5.758   0.460  -2.377  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.441  -0.021  -2.389  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -3.794  -0.077  -3.562  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5