REMARK  Name = BDB026441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.561   0.439  -1.015  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        1.415   1.223  -0.849  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        1.373   2.441  -0.812  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        0.321   0.352  -0.739  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        0.800  -1.006  -0.586  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        2.190  -0.948  -1.200  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.800   1.001  -1.511  0.00  0.00    +0.146 C 
BRANCH   7  11
ATOM      8  C   LIG    1        7.213  -1.087  -0.056  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1        6.435  -0.399   0.812  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1        5.365   0.257   0.307  0.00  0.00    +0.116 A 
ATOM     11  C   LIG    1        5.013   0.256  -1.038  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1        5.825  -0.467  -1.912  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        6.936  -1.147  -1.419  0.00  0.00    +0.023 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.045  -3.272   0.838  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1        8.392  -1.826   0.521  0.00  0.00    +0.052 C 
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1       -0.952   0.777  -0.159  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.706   1.762  -1.069  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.970   1.150  -2.341  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -1.105   0.811  -2.637  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -3.012   2.287  -0.427  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.877   1.282   0.233  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.920   1.978   1.019  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.954   1.052   1.621  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -6.169  -0.230   1.091  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -7.156  -1.057   1.643  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.944  -0.604   2.700  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.748   0.674   3.216  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.293  -0.734  -0.026  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.760   1.500   2.679  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.527   0.388  -0.742  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8