REMARK  Name = BDB050284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.593  -0.673  -0.695  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -0.485  -0.160  -0.006  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.472   0.620  -0.669  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        0.323   0.885  -2.034  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.776   0.373  -2.727  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.729  -0.399  -2.062  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.617   1.155   0.103  0.00  0.00    +0.091 C 
ATOM      8  C   LIG    1        2.756   1.857  -0.554  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1        3.739   1.833   0.597  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        2.925   1.684   1.774  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1        1.695   1.087   1.395  0.00  0.00    -0.088 NA
BRANCH   9  12
ATOM     12  C   LIG    1        4.785   0.741   0.465  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        5.915   0.964  -0.340  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        6.885  -0.027  -0.499  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.739  -1.255   0.141  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.623  -1.493   0.941  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.652  -0.502   1.101  0.00  0.00    +0.007 A 
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1       -2.635  -1.494   0.028  0.00  0.00    +0.078 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.892  -0.699   0.417  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.665  -0.025   1.775  0.00  0.00    +0.334 C 
ATOM     21  O   LIG    1       -4.099  -0.383   2.859  0.00  0.00    -0.248 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -2.920   1.096   1.689  0.00  0.00    -0.479 OA
ATOM     23  H   LIG    1       -2.827   1.401   2.616  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  24
ATOM     24  O   LIG    1       -4.976  -1.640   0.448  0.00  0.00    -0.365 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -6.763  -0.712  -0.899  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1       -6.269  -1.040   0.499  0.00  0.00    +0.157 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8