REMARK  Name = BDB032123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.419   0.043  -0.052  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -0.021   0.482  -1.308  0.00  0.00    +0.136 A 
ATOM      3  N   LIG    1        1.268   0.492  -1.738  0.00  0.00    -0.238 NA
ATOM      4  C   LIG    1        2.220   0.057  -0.900  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1        1.917  -0.399   0.378  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        0.586  -0.408   0.802  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.878   0.448  -0.246  0.00  0.00    +0.222 C 
ATOM      8  N   LIG    1       -1.747   0.009   0.423  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -1.877  -0.338   1.365  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.896   0.953  -1.363  0.00  0.00    -0.275 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -6.861   1.537   1.775  0.00  0.00    +0.239 C 
ATOM     12  N   LIG    1       -6.553   0.721   0.692  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -5.316   1.014  -0.036  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1       -4.155   0.203   0.549  0.00  0.00    +0.093 C 
ATOM     15  C   LIG    1       -4.504  -1.298   0.552  0.00  0.00    +0.016 C 
ATOM     16  C   LIG    1       -5.867  -1.569   1.200  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -6.960  -0.681   0.603  0.00  0.00    +0.108 C 
ATOM     18  O   LIG    1       -6.132   2.447   2.162  0.00  0.00    -0.271 OA
BRANCH  11  20
ATOM     19  C   LIG    1       -8.350   1.645   3.724  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -8.158   1.271   2.452  0.00  0.00    +0.060 C 
ENDBRANCH  11  20
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  21
ATOM     21  N   LIG    1        3.563   0.046  -1.280  0.00  0.00    -0.265 N 
ATOM     22  H   LIG    1        4.252  -0.278  -0.613  0.00  0.00    +0.157 HD
ATOM     23  C   LIG    1        4.073   0.440  -2.499  0.00  0.00    +0.268 C 
ATOM     24  O   LIG    1        3.468   0.859  -3.476  0.00  0.00    -0.268 OA
BRANCH  23  25
ATOM     25  C   LIG    1        5.566   0.303  -2.563  0.00  0.00    +0.126 A 
ATOM     26  N   LIG    1        6.175  -0.164  -1.432  0.00  0.00    -0.242 NA
ATOM     27  C   LIG    1        7.522  -0.301  -1.473  0.00  0.00    +0.076 A 
ATOM     28  C   LIG    1        8.275   0.013  -2.604  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        7.625   0.488  -3.742  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.245   0.637  -3.726  0.00  0.00    +0.033 A 
BRANCH  27  31
ATOM     31  C   LIG    1        8.120  -0.796  -0.250  0.00  0.00    +0.059 A 
ATOM     32  C   LIG    1        9.437  -1.134  -0.050  0.00  0.00    +0.240 A 
ATOM     33  O   LIG    1        9.616  -1.563   1.226  0.00  0.00    -0.362 OA
ATOM     34  N   LIG    1        8.407  -1.515   1.900  0.00  0.00    -0.086 NA
ATOM     35  C   LIG    1        7.529  -1.057   1.006  0.00  0.00    +0.166 A 
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH   4  21
TORSDOF 6