REMARK  Name = BDB062863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.903  -0.829  -2.994  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.470  -1.077  -1.939  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -0.860  -1.105  -0.704  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1       -1.362  -1.537   0.063  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.896  -1.454  -1.937  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -3.868  -0.775  -1.215  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -3.864   0.436  -0.406  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1       -5.149   0.637   0.129  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -6.019  -0.447  -0.364  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1       -7.194  -0.608  -0.113  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1       -5.488   1.702   0.944  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -4.484   2.624   1.230  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.195   2.464   0.691  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.881   1.374  -0.136  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -5.176  -1.300  -1.224  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -5.559  -2.424  -1.935  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -4.581  -3.067  -2.689  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.260  -2.587  -2.692  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        0.574  -0.940  -0.579  0.00  0.00    +0.105 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.950  -0.476   0.825  0.00  0.00    +0.033 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.468  -0.351   1.026  0.00  0.00    +0.103 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.740  -0.304   2.513  0.00  0.00    +0.308 C 
ATOM     23  O   LIG    1        3.124  -1.240   3.195  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        2.434   0.874   3.089  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1        2.650   0.730   4.035  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
BRANCH  21  26
ATOM     26  C   LIG    1        3.066   0.863   0.297  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.576   0.904   0.357  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1        5.342   0.048  -0.445  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        6.736   0.077  -0.379  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.376   0.960   0.488  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.623   1.815   1.290  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.229   1.788   1.225  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8