REMARK  Name = BDB008871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.749  -0.122   0.496  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.101  -0.272  -0.605  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.028  -1.323  -0.643  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.073  -2.225   0.431  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.238  -2.061   1.538  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.667  -1.001   1.579  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.857   0.495   1.446  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        5.095   1.782   1.784  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1        3.874   2.002   0.893  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1        3.022   0.816   0.838  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        1.673   1.034   0.528  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        1.193   2.144   0.305  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        3.709  -0.420   0.464  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        4.892  -0.696   1.386  0.00  0.00    +0.032 C 
BRANCH   7  18
ATOM     15  N   LIG    1        7.466  -0.431  -0.138  0.00  0.00    -0.329 N 
ATOM     16  H   LIG    1        7.754  -1.089   0.573  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        8.084  -0.307  -0.931  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1        6.664   0.632   0.160  0.00  0.00    +0.214 C 
ATOM     19  O   LIG    1        6.632   1.607  -0.581  0.00  0.00    -0.276 OA
ENDBRANCH   7  18
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  C   LIG    1       -1.948  -1.486  -1.830  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.425  -1.547  -1.449  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.138  -0.299  -1.030  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -3.437   1.031  -1.022  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -4.396   2.221  -0.911  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.466   1.964   0.142  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.279   0.712  -0.195  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.427  -0.432  -0.672  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -6.083  -1.762  -0.731  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -7.261  -1.918  -0.427  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -5.296  -2.800  -1.151  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -5.727  -3.717  -1.198  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.986  -2.720  -1.502  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4