REMARK  Name = BDB051881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.567  -0.594  -1.089  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.605  -1.018  -1.739  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.505  -0.103  -2.295  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        1.259   1.270  -2.213  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        0.087   1.702  -1.586  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.812   0.780  -1.036  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.428  -1.574  -0.549  0.00  0.00    -0.285 N 
ATOM      8  H   LIG    1       -1.040  -2.506  -0.621  0.00  0.00    +0.155 HD
BRANCH   7  15
ATOM      9  C   LIG    1       -6.540  -0.606   2.155  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -5.502   0.056   1.487  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -4.429  -0.701   0.997  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1       -4.427  -2.076   1.185  0.00  0.00    +0.067 A 
ATOM     13  N   LIG    1       -3.261  -2.487   0.594  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -2.930  -3.435   0.542  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1       -2.609  -1.389   0.083  0.00  0.00    +0.198 A 
ATOM     16  C   LIG    1       -5.447  -2.764   1.846  0.00  0.00    +0.028 A 
ATOM     17  N   LIG    1       -3.306  -0.300   0.318  0.00  0.00    -0.214 NA
ATOM     18  C   LIG    1       -6.510  -1.992   2.330  0.00  0.00    +0.002 A 
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1        2.247   2.270  -2.764  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.034   3.053  -1.698  0.00  0.00    +0.107 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.035   2.231  -1.019  0.00  0.00    -0.328 N 
ATOM     22  H   LIG    1        4.615   1.673  -1.636  0.00  0.00    +0.147 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.590   1.489   0.078  0.00  0.00    +0.136 A 
ATOM     24  C   LIG    1        4.135   0.238   0.402  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        3.636  -0.461   1.496  0.00  0.00    +0.083 A 
ATOM     26  C   LIG    1        4.296  -1.712   1.683  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        5.269  -1.940   0.737  0.00  0.00    +0.048 A 
ATOM     28  N   LIG    1        2.635   0.011   2.276  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1        2.179   1.209   1.897  0.00  0.00    +0.223 A 
ATOM     30  S   LIG    1        5.386  -0.653  -0.381  0.00  0.00    -0.092 S 
ATOM     31  N   LIG    1        2.608   1.964   0.875  0.00  0.00    -0.220 NA
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6