REMARK  Name = BDB044079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.393   0.477  -0.904  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1       -1.601   0.244  -0.171  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.662   0.647  -0.977  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -2.114   1.103  -2.156  0.00  0.00    -0.357 N 
ATOM      5  H   LIG    1       -2.660   1.441  -2.938  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1       -0.744   1.016  -2.131  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        0.074   1.475  -3.285  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        3.627  -0.365   0.228  0.00  0.00    +0.123 A 
ATOM      9  C   LIG    1        3.044  -0.891  -1.040  0.00  0.00    +0.263 A 
ATOM     10  O   LIG    1        3.652  -1.624  -1.813  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1        1.742  -0.532  -1.304  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1        1.343  -0.904  -2.155  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1        0.950   0.227  -0.475  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        1.469   0.672   0.681  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        2.837   0.369   1.035  0.00  0.00    +0.022 A 
BRANCH   8  16
ATOM     16  C   LIG    1        5.019  -0.599   0.661  0.00  0.00    +0.344 C 
ATOM     17  O   LIG    1        5.380  -0.553   1.831  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        5.833  -0.801  -0.401  0.00  0.00    -0.461 OA
BRANCH  18  20
ATOM     19  C   LIG    1        7.966   0.271  -0.011  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        7.215  -1.044  -0.106  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   8  16
ENDBRANCH   1  13
BRANCH   2  21
ATOM     21  C   LIG    1       -1.766  -0.316   1.165  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1       -1.264  -1.591   1.457  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -1.404  -2.126   2.739  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.046  -1.392   3.735  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.548  -0.122   3.452  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.407   0.416   2.172  0.00  0.00    +0.008 A 
ENDBRANCH   2  21
BRANCH   3  27
ATOM     27  C   LIG    1       -4.114   0.618  -0.785  0.00  0.00    -0.001 A 
ATOM     28  C   LIG    1       -4.880   1.773  -0.992  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -6.266   1.746  -0.817  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.897   0.564  -0.435  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.145  -0.590  -0.226  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -4.760  -0.563  -0.401  0.00  0.00    +0.010 A 
ENDBRANCH   3  27
TORSDOF 6