REMARK  Name = BDB062216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.710  -1.234   0.139  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1        1.334  -2.124   1.091  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.426  -2.541   1.189  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.416  -2.468   1.831  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.487  -3.253   2.755  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        3.496  -1.651   1.213  0.00  0.00    +0.133 C 
ATOM      7  C   LIG    1        4.752  -1.689   1.677  0.00  0.00    +0.082 C 
ATOM      8  N   LIG    1        2.975  -0.929   0.161  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        5.903  -0.959   1.184  0.00  0.00    +0.165 C 
ATOM     10  O   LIG    1        5.682  -0.108   0.111  0.00  0.00    -0.449 OA
ATOM     11  C   LIG    1        6.776   0.583  -0.352  0.00  0.00    +0.171 A 
ATOM     12  C   LIG    1        8.037   0.433   0.229  0.00  0.00    +0.170 A 
ATOM     13  C   LIG    1        9.127   1.147  -0.262  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        8.950   2.016  -1.340  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        7.688   2.167  -1.922  0.00  0.00    +0.004 A 
ATOM     16  O   LIG    1        8.239  -0.414   1.292  0.00  0.00    -0.456 OA
ATOM     17  C   LIG    1        6.597   1.449  -1.428  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        7.122  -1.090   1.730  0.00  0.00    +0.242 C 
ENDBRANCH   7   9
BRANCH   1  19
ATOM     19  N   LIG    1        0.841  -0.748  -0.787  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1        1.289  -0.177  -1.496  0.00  0.00    +0.155 HD
BRANCH  19  24
ATOM     21  C   LIG    1       -3.370  -0.062  -0.532  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -2.584  -0.188   0.622  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -1.197  -0.402   0.565  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -0.534  -0.493  -0.658  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1       -1.303  -0.368  -1.817  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1       -2.688  -0.156  -1.752  0.00  0.00    +0.025 A 
BRANCH  21  31
ATOM     27  C   LIG    1       -8.571   1.312   0.489  0.00  0.00    +0.105 C 
ATOM     28  N   LIG    1       -7.715   0.509  -0.380  0.00  0.00    -0.302 NA
ATOM     29  C   LIG    1       -6.984  -0.530   0.374  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1       -5.516  -0.197   0.734  0.00  0.00    +0.120 C 
ATOM     31  N   LIG    1       -4.736   0.150  -0.467  0.00  0.00    -0.327 N 
ATOM     32  C   LIG    1       -5.501   0.661  -1.617  0.00  0.00    +0.120 C 
ATOM     33  C   LIG    1       -6.787   1.375  -1.139  0.00  0.00    +0.103 C 
ENDBRANCH  21  31
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 4