REMARK  Name = BDB028360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.554  -0.932  -0.327  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        2.540  -1.893  -0.275  0.00  0.00    -0.261 N 
ATOM      3  N   LIG    1        2.123  -3.119  -0.667  0.00  0.00    -0.178 NA
ATOM      4  C   LIG    1        0.860  -2.917  -1.047  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1        0.444  -1.586  -0.845  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -0.835  -0.965  -1.119  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -1.599  -0.426  -0.074  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -2.827   0.188  -0.344  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -3.277   0.273  -1.660  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -4.550   0.956  -1.940  0.00  0.00    +0.272 A 
ATOM     11  N   LIG    1       -5.204   1.486  -0.854  0.00  0.00    -0.242 N 
ATOM     12  H   LIG    1       -6.084   1.962  -1.030  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -4.807   1.398   0.444  0.00  0.00    -0.174 NA
ATOM     14  O   LIG    1       -4.990   1.047  -3.080  0.00  0.00    -0.266 OA
ATOM     15  C   LIG    1       -2.524  -0.271  -2.707  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -3.693   0.777   0.708  0.00  0.00    +0.083 A 
ATOM     17  C   LIG    1       -1.306  -0.894  -2.434  0.00  0.00    +0.009 A 
BRANCH  16  18
ATOM     18  C   LIG    1       -3.288   0.671   2.176  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.260   1.673   2.468  0.00  0.00    -0.325 NA
ATOM     20  H   LIG    1       -2.642   2.594   2.238  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -2.103   1.693   3.476  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   5   6
BRANCH   1  23
ATOM     22  C   LIG    1        1.881   1.496  -0.895  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1        1.739   0.469   0.057  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1        1.748   0.795   1.423  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        1.906   2.119   1.835  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        2.054   3.132   0.891  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        2.041   2.823  -0.470  0.00  0.00    +0.019 A 
BRANCH  22  29
ATOM     28  N   LIG    1        1.885   1.018  -3.448  0.00  0.00    -0.191 NA
ATOM     29  C   LIG    1        1.877   1.223  -2.305  0.00  0.00    +0.100 C 
ENDBRANCH  22  29
ENDBRANCH   1  23
BRANCH   2  30
ATOM     30  C   LIG    1        3.926  -1.748   0.148  0.00  0.00    +0.172 C 
BRANCH  30  31
ATOM     31  C   LIG    1        4.195  -2.533   1.427  0.00  0.00    +0.179 C 
BRANCH  31  32
ATOM     32  O   LIG    1        4.241  -3.937   1.182  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1        3.474  -4.148   0.604  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 8