REMARK  Name = BDB028308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.428  -0.374   0.185  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.673   0.256  -0.009  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.872  -0.462   0.118  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.832  -1.814   0.442  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -5.093  -2.561   0.574  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -6.244  -1.845   0.360  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -7.124  -2.343   0.446  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -6.319  -0.525   0.040  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -5.101  -3.753   0.859  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.608  -2.459   0.639  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -5.211   0.150  -0.081  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.417  -1.741   0.510  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        2.045   0.671  -0.921  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        0.855  -0.055  -0.806  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -0.172   0.376   0.049  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        0.065   1.554   0.758  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        1.193   2.295   0.668  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        2.154   1.836  -0.171  0.00  0.00    +0.125 A 
BRANCH  13  19
ATOM     19  S   LIG    1        3.312   0.096  -2.030  0.00  0.00    -0.088 S 
BRANCH  19  22
ATOM     20  C   LIG    1        4.270  -1.622   0.512  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1        5.137  -0.486   0.043  0.00  0.00    -0.037 A 
ATOM     22  C   LIG    1        4.800   0.324  -1.060  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        5.665   1.357  -1.451  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        6.839   1.612  -0.743  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        7.162   0.833   0.363  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.318  -0.207   0.753  0.00  0.00    +0.004 A 
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  27
ATOM     27  C   LIG    1       -5.286   1.637  -0.441  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -6.679   2.075  -0.590  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -7.121   1.464  -1.282  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -7.172   1.836   0.274  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 5