REMARK  Name = BDB028589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.355   0.134   1.894  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.746   0.093   0.730  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.869  -0.606   0.319  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.522  -0.378  -0.975  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1       -4.932  -0.985  -1.125  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -4.927  -2.428  -0.600  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -4.281  -2.591   0.781  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -3.630  -1.327   1.332  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -1.070   0.739  -0.271  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -1.110   0.286  -1.170  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.026  -0.105  -0.533  0.00  0.00    +0.046 A 
ATOM     12  N   LIG    1       -6.721  -0.571   0.532  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1       -7.691   0.216   1.048  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -8.020   1.463   0.547  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -7.312   1.930  -0.551  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -6.306   1.139  -1.102  0.00  0.00    +0.023 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        0.128   1.532  -0.006  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.359   0.673   0.367  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.311   0.337   1.761  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.375   0.136   1.985  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.669   1.456   0.093  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.865   0.614  -0.152  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        5.010   1.485  -0.492  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.327   0.751  -0.629  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.517  -0.503  -0.027  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.755  -1.149  -0.136  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.809  -0.541  -0.818  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.631   0.712  -1.399  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.368  -1.178   0.675  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        7.398   1.357  -1.303  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.217  -0.217   1.012  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6