REMARK  Name = BDB018774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.747  -0.282  -0.061  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.783   0.683  -0.393  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.553   0.316  -0.546  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1        1.503   1.283  -0.885  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1        1.201   2.206  -1.174  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        2.854   1.052  -0.941  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1        3.347  -0.253  -0.312  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1        4.780  -0.584  -0.757  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1        5.683  -0.156   0.357  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        4.864   0.543   1.373  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1        2.382  -1.388  -0.674  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1        3.481  -0.067   1.208  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1        3.604   1.919  -1.383  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.952  -1.014  -0.394  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -0.004  -1.983  -0.079  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -1.341  -1.616   0.094  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -2.847   0.619   2.578  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -3.702   0.526   1.341  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1       -3.152   0.096   0.107  0.00  0.00    -0.004 A 
ATOM     20  C   LIG    1       -4.005   0.028  -1.020  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -5.343   0.384  -0.893  0.00  0.00    +0.066 A 
ATOM     22  N   LIG    1       -5.887   0.214  -2.139  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1       -6.846   0.378  -2.422  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1       -5.016  -0.221  -3.066  0.00  0.00    -0.181 NA
ATOM     25  C   LIG    1       -5.906   0.813   0.309  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -3.873  -0.334  -2.384  0.00  0.00    +0.143 A 
ATOM     27  C   LIG    1       -5.060   0.876   1.421  0.00  0.00    +0.006 A 
ENDBRANCH   1  19
BRANCH   9  28
ATOM     28  C   LIG    1        7.000   0.039   0.205  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1        8.139   0.199   0.078  0.00  0.00    -0.174 NA
ENDBRANCH   9  28
TORSDOF 2