REMARK  Name = BDB008994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.393  -0.588  -0.750  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        0.891  -1.026  -0.381  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        1.706  -1.742  -1.273  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.220  -2.023  -2.559  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.054  -1.609  -2.936  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.854  -0.899  -2.038  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.317   0.480   1.432  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1       -2.506  -0.260   0.555  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.226   0.185   0.184  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1       -0.766   1.397   0.722  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -1.559   2.143   1.596  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.829   1.687   1.947  0.00  0.00    +0.005 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.691  -0.026   1.810  0.00  0.00    +0.116 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -5.560  -0.096   0.634  0.00  0.00    -0.310 NA
ATOM     15  H   LIG    1       -5.513   0.797   0.139  0.00  0.00    +0.122 HD
BRANCH  14  17
ATOM     16  C   LIG    1       -7.733   0.746   1.507  0.00  0.00    +0.023 C 
ATOM     17  C   LIG    1       -6.963  -0.433   0.905  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1       -7.139  -1.699   1.745  0.00  0.00    +0.023 C 
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1        3.088  -2.200  -0.870  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.190  -1.334  -1.477  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        4.706  -0.145  -0.723  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1        4.312   0.104   0.708  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        5.206   1.131   1.413  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        5.464   2.335   0.516  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        6.156   1.908  -0.780  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1        5.563   0.659  -1.378  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        6.005   0.312  -2.753  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1        6.764   1.036  -3.390  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        5.541  -0.877  -3.248  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1        5.813  -1.120  -4.199  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1        4.608  -1.673  -2.662  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6