REMARK  Name = BDB018412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.074   1.230  -0.433  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1       -0.646   1.497  -0.685  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.296   2.761  -1.001  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -1.211   3.795  -1.108  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.723   5.118  -1.465  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.570   3.603  -0.902  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -3.430   4.473  -0.998  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.974   2.226  -0.534  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -4.183  -3.911   1.204  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -3.665  -2.566   0.790  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1       -2.888  -1.804   1.670  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.377  -0.565   1.274  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -2.625  -0.076  -0.013  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1       -3.394  -0.843  -0.899  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.905  -2.081  -0.501  0.00  0.00    +0.004 A 
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1        0.353   0.468  -0.605  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        1.586   0.581   0.001  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1        2.250  -0.614  -0.173  0.00  0.00    -0.238 N 
ATOM     19  N   LIG    1        1.452  -1.514  -0.810  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1        0.331  -0.849  -1.089  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.567  -1.000   0.231  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1        4.579  -0.099   0.611  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1        5.831  -0.598   1.025  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        6.090  -1.967   1.049  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.106  -2.859   0.648  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.859  -2.382   0.238  0.00  0.00    +0.029 A 
BRANCH  22  27
ATOM     27  C   LIG    1        4.470   1.329   0.536  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1        4.401   2.487   0.478  0.00  0.00    -0.191 NA
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 4