REMARK  Name = BDB008838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.885  -0.960  -1.504  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -2.015  -0.265  -1.956  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -3.171  -0.945  -2.376  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.172  -2.344  -2.366  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.052  -3.042  -1.918  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.916  -2.353  -1.485  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.437  -0.641  -0.609  0.00  0.00    +0.218 C 
ATOM      8  N   LIG    1        0.222  -0.188  -1.095  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        0.110   0.817  -1.166  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.770  -1.809  -0.440  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.369   0.512  -0.286  0.00  0.00    +0.104 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.712   0.021   0.244  0.00  0.00    +0.089 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.639   1.177   0.563  0.00  0.00    +0.164 C 
ATOM     14  O   LIG    1        4.299   2.347   0.396  0.00  0.00    -0.292 OA
BRANCH  13  18
ATOM     15  C   LIG    1        8.589   0.404   2.106  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        7.743  -0.665   1.811  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        6.455  -0.431   1.309  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        6.003   0.876   1.097  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        6.855   1.946   1.394  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        8.138   1.708   1.895  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       10.371  -0.995   2.829  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        9.861   0.312   2.599  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  13  18
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1       -4.379  -0.183  -2.870  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.856   0.895  -1.901  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -5.584   0.504  -0.653  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -5.894  -0.936  -0.354  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -6.925  -1.114   0.765  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.632  -0.181   1.934  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -6.647   1.281   1.484  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -5.943   1.502   0.174  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -5.642   2.911  -0.183  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -5.972   3.847   0.537  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -4.979   3.100  -1.365  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -4.768   4.057  -1.630  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -4.578   2.125  -2.223  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8