REMARK  Name = BDB054406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.298   0.037  -1.746  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -0.403  -0.133  -2.940  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.757  -0.503  -2.936  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -2.430  -0.708  -1.706  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -3.802  -1.067  -1.756  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -4.463  -1.263  -2.976  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.783  -1.067  -4.171  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.681  -0.569  -0.511  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.444  -0.681  -4.150  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -0.334  -0.202  -0.530  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.624  -1.247  -0.537  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1       -4.739  -0.127   0.259  0.00  0.00    -0.309 N 
ATOM     13  H   LIG    1       -4.210   0.701   0.013  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1       -5.178  -2.316  -0.321  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -5.447  -0.154   1.529  0.00  0.00    +0.067 C 
ATOM     16  C   LIG    1       -4.541  -0.692   2.634  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -5.956   1.241   1.877  0.00  0.00    +0.027 C 
ENDBRANCH  12  15
ENDBRANCH   5  11
BRANCH   1  18
ATOM     18  O   LIG    1        1.630   0.369  -1.855  0.00  0.00    -0.455 OA
BRANCH  18  27
ATOM     19  C   LIG    1        5.304   0.293   1.631  0.00  0.00    +0.164 A 
ATOM     20  C   LIG    1        4.825  -0.690   0.750  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1        3.774  -0.375  -0.113  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        3.191   0.912  -0.107  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        3.674   1.893   0.777  0.00  0.00    +0.078 A 
ATOM     24  N   LIG    1        3.163   3.136   0.829  0.00  0.00    -0.255 NA
ATOM     25  C   LIG    1        2.155   3.455  -0.011  0.00  0.00    +0.115 A 
ATOM     26  C   LIG    1        1.605   2.575  -0.915  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        2.121   1.283  -0.945  0.00  0.00    +0.139 A 
ATOM     28  C   LIG    1        4.720   1.566   1.628  0.00  0.00    +0.077 A 
BRANCH  19  30
ATOM     29  C   LIG    1        6.862   0.890   3.345  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        6.339  -0.084   2.452  0.00  0.00    -0.491 OA
ENDBRANCH  19  30
BRANCH  20  31
ATOM     31  O   LIG    1        5.444  -1.913   0.810  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1        4.979  -2.933  -0.062  0.00  0.00    +0.277 C 
ENDBRANCH  20  31
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 6