REMARK  Name = BDB046033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.124   0.733   0.686  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.422   0.437  -0.466  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1        0.398   0.682  -1.548  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1        0.238   0.107  -2.369  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.786   1.067  -1.342  0.00  0.00    +0.200 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.692  -0.161  -1.510  0.00  0.00    +0.233 C 
ATOM      7  N   LIG    1        4.034  -0.028  -1.180  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        4.592   1.069  -0.368  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1        4.827   0.594   1.085  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1        5.663  -0.623   1.098  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        5.116  -1.721   0.271  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.876  -1.238  -1.178  0.00  0.00    +0.127 C 
ATOM     13  O   LIG    1        2.237  -1.206  -1.988  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     14  C   LIG    1        7.032  -0.397   0.937  0.00  0.00    +0.218 A 
ATOM     15  N   LIG    1        7.530   0.816   1.231  0.00  0.00    -0.223 NA
ATOM     16  C   LIG    1        8.857   1.004   1.095  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        9.719   0.032   0.663  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        9.131  -1.170   0.373  0.00  0.00    +0.116 A 
ATOM     19  N   LIG    1        7.810  -1.401   0.496  0.00  0.00    -0.223 NA
ENDBRANCH  10  14
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -1.746  -0.181  -0.855  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.574  -0.529   0.379  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.918  -1.005   0.022  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -4.033  -2.372  -0.222  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -3.095  -3.166  -0.179  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -5.282  -2.825  -0.522  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -5.381  -3.822  -0.623  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -6.426  -2.096  -0.454  0.00  0.00    +0.257 A 
ATOM     28  O   LIG    1       -7.528  -2.629  -0.529  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.255  -0.631  -0.290  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1       -7.506   0.209  -0.331  0.00  0.00    +0.042 C 
ATOM     31  C   LIG    1       -7.801   0.891   1.008  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -6.955   2.136   1.276  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1       -5.447   1.898   1.372  0.00  0.00    +0.006 C 
ATOM     34  C   LIG    1       -4.831   1.358   0.080  0.00  0.00    +0.054 C 
ATOM     35  C   LIG    1       -5.016  -0.141  -0.074  0.00  0.00    +0.032 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6