REMARK  Name = BDB046028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.021   1.446  -1.523  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.765   0.616  -2.036  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.319  -0.383  -2.876  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -0.915  -1.199  -2.965  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.107  -0.640  -3.003  0.00  0.00    +0.200 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.530  -1.727  -2.002  0.00  0.00    +0.233 C 
ATOM      7  N   LIG    1        2.888  -1.991  -1.874  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        3.315  -2.900  -0.804  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1        3.744  -2.094   0.440  0.00  0.00    +0.124 C 
ATOM     10  N   LIG    1        4.798  -1.111   0.075  0.00  0.00    -0.327 N 
ATOM     11  C   LIG    1        4.408  -0.215  -1.048  0.00  0.00    +0.124 C 
ATOM     12  C   LIG    1        3.948  -1.053  -2.263  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1        0.678  -2.378  -1.387  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     14  C   LIG    1        5.450  -0.438   1.123  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        6.678   0.201   0.874  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        7.374   0.879   1.880  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        6.857   0.929   3.169  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.651   0.295   3.448  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        4.960  -0.384   2.436  0.00  0.00    +0.023 A 
ENDBRANCH  10  14
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.257   0.570  -1.803  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.724   1.772  -0.988  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.159   1.695  -0.672  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -5.028   2.162  -1.657  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -4.664   2.619  -2.740  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -6.359   2.072  -1.377  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -6.992   2.390  -2.093  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -6.906   1.438  -0.307  0.00  0.00    +0.257 A 
ATOM     28  O   LIG    1       -8.118   1.293  -0.191  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -5.951   0.926   0.702  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1       -6.553   0.222   1.886  0.00  0.00    +0.042 C 
ATOM     31  C   LIG    1       -5.535  -0.610   2.663  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -4.255   0.183   2.874  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1       -3.633   0.603   1.538  0.00  0.00    +0.054 C 
ATOM     34  C   LIG    1       -4.629   1.089   0.499  0.00  0.00    +0.032 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6