REMARK  Name = BDB004372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.871   3.216  -2.275  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        5.124   2.354  -1.826  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        5.591   1.389  -0.820  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        4.693   0.442  -0.356  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        5.071  -0.497   0.596  0.00  0.00    +0.138 A 
ATOM      6  O   LIG    1        4.222  -1.455   1.090  0.00  0.00    -0.455 OA
ATOM      7  C   LIG    1        2.932  -1.482   0.613  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        2.433  -0.597  -0.344  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        1.105  -0.697  -0.776  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        0.263  -1.687  -0.249  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        0.773  -2.570   0.715  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        2.100  -2.469   1.142  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        6.376  -0.483   1.089  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        7.291   0.469   0.626  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.332   0.441  -0.883  0.00  0.00    +0.106 A 
ATOM     16  N   LIG    1        2.918   1.296  -1.772  0.00  0.00    -0.170 NA
ATOM     17  C   LIG    1        6.900   1.409  -0.331  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1        3.811   2.227  -2.222  0.00  0.00    -0.242 N 
ATOM     19  H   LIG    1        3.469   2.882  -2.918  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  10  20
ATOM     20  C   LIG    1       -1.176  -1.788  -0.697  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.126  -1.253   0.276  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1       -1.920  -1.627   1.200  0.00  0.00    +0.122 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.132   0.212   0.325  0.00  0.00    +0.096 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.184   0.780   1.315  0.00  0.00    +0.099 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.593   0.820   0.906  0.00  0.00    -0.297 NA
ATOM     26  C   LIG    1       -4.865   1.635  -0.290  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1       -5.380   0.818  -1.486  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1       -6.571   0.076  -1.190  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -6.623  -0.384   0.169  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1       -5.237  -0.499   0.825  0.00  0.00    +0.112 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 5