REMARK  Name = BDB046065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.669   0.081   0.022  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -1.261   1.342   0.211  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -2.659   1.438   0.226  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -3.495   0.332   0.057  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -4.838   0.815   0.048  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -6.053   0.080  -0.250  0.00  0.00    +0.272 A 
ATOM      7  N   LIG    1       -5.911  -1.248  -0.607  0.00  0.00    -0.263 N 
ATOM      8  H   LIG    1       -6.820  -1.648  -0.826  0.00  0.00    +0.190 HD
ATOM      9  N   LIG    1       -5.074  -2.121   0.142  0.00  0.00    -0.263 N 
ATOM     10  H   LIG    1       -5.447  -3.068   0.191  0.00  0.00    +0.190 HD
ATOM     11  C   LIG    1       -3.714  -2.178  -0.102  0.00  0.00    +0.271 A 
ATOM     12  O   LIG    1       -3.169  -3.277  -0.197  0.00  0.00    -0.266 OA
ATOM     13  O   LIG    1       -7.161   0.610  -0.299  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1       -4.779   2.175   0.293  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1       -2.907  -0.937  -0.089  0.00  0.00    +0.051 A 
ATOM     16  N   LIG    1       -3.466   2.538   0.402  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -3.131   3.479   0.559  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -1.501  -1.040  -0.118  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1  22
ATOM     19  C   LIG    1        3.621  -0.327  -0.060  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1        2.973   0.586  -0.901  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        1.581   0.716  -0.875  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        0.797  -0.059  -0.007  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        1.455  -0.969   0.836  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        2.848  -1.101   0.814  0.00  0.00    +0.005 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.125  -0.460  -0.090  0.00  0.00    +0.116 C 
BRANCH  25  27
ATOM     26  C   LIG    1        7.211   0.581   0.502  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1        5.764   0.731   0.469  0.00  0.00    -0.315 NA
ATOM     28  H   LIG    1        5.413   0.875   1.415  0.00  0.00    +0.122 HD
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 3