REMARK  Name = BDB008865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.742  -1.100   0.209  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.041  -0.006  -0.174  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.130  -0.189  -1.039  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.393  -1.478  -1.528  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.618  -2.570  -1.125  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.446  -2.386  -0.245  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -6.733  -0.298  -1.979  0.00  0.00    +0.104 C 
ATOM      8  N   LIG    1       -5.641  -0.534  -1.027  0.00  0.00    -0.304 NA
ATOM      9  C   LIG    1       -4.628   0.531  -1.151  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -3.215   0.094  -0.716  0.00  0.00    +0.123 C 
ATOM     11  N   LIG    1       -2.995  -0.213   0.702  0.00  0.00    -0.296 N 
ATOM     12  C   LIG    1       -1.868  -0.911   1.147  0.00  0.00    +0.247 C 
ATOM     13  O   LIG    1       -1.741  -1.378   2.276  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -4.093  -0.032   1.643  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -5.209  -1.044   1.420  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -6.198  -0.623   0.333  0.00  0.00    +0.085 C 
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  C   LIG    1        1.967   0.997  -1.462  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.471   0.749  -1.397  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        4.185   0.869  -0.087  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        3.437   1.199   1.175  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1        4.263   0.986   2.448  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        5.685   1.504   2.277  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        6.388   0.801   1.114  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        5.515   0.672  -0.104  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        6.200   0.317  -1.373  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1        7.408   0.114  -1.422  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        5.400   0.232  -2.480  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1        5.850  -0.006  -3.358  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1        4.059   0.447  -2.517  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 3