REMARK  Name = BDB032439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.322  -0.335   2.831  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -1.382   0.850   0.453  0.00  0.00    +0.215 A 
ATOM      3  N   LIG    1       -1.538   2.157   0.754  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -0.753   2.643   1.738  0.00  0.00    +0.115 A 
ATOM      5  C   LIG    1        0.175   1.885   2.436  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.318   0.531   2.113  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1       -0.482   0.011   1.092  0.00  0.00    +0.072 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -2.135   0.277  -0.549  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -3.098   1.167  -1.118  0.00  0.00    +0.238 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.909   0.427  -2.181  0.00  0.00    +0.115 C 
BRANCH  10  13
ATOM     11  C   LIG    1       -6.747   1.108  -1.162  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1       -6.143  -0.201  -1.138  0.00  0.00    -0.337 N 
ATOM     13  C   LIG    1       -4.886  -0.540  -1.586  0.00  0.00    +0.113 A 
ATOM     14  N   LIG    1       -4.683  -1.836  -1.438  0.00  0.00    -0.241 NA
ATOM     15  C   LIG    1       -5.821  -2.335  -0.865  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1       -6.743  -1.337  -0.670  0.00  0.00    +0.106 A 
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  N   LIG    1        2.679  -0.067   2.365  0.00  0.00    -0.339 N 
ATOM     18  H   LIG    1        2.875   0.928   2.407  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.201  -0.623   1.180  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        4.416  -0.101   0.621  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.951  -0.661  -0.569  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        6.133  -0.093  -1.110  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1        6.787   0.936  -0.545  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        6.286   1.433   0.596  0.00  0.00    +0.113 A 
ATOM     25  C   LIG    1        4.295  -1.764  -1.154  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        3.162  -2.318  -0.573  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.136   0.962   1.202  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        2.636  -1.763   0.590  0.00  0.00    +0.023 A 
BRANCH  22  29
ATOM     29  N   LIG    1        6.711  -0.590  -2.291  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1        6.034  -0.526  -3.044  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        6.958  -1.565  -2.154  0.00  0.00    +0.144 HD
ENDBRANCH  22  29
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 8