REMARK  Name = BDB028199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.374   0.198   0.080  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.182  -0.217  -0.703  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.309  -1.349  -1.500  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.232  -1.798  -2.270  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.017  -1.111  -2.231  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.856   0.027  -1.424  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -4.587  -2.081  -1.513  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.743  -3.080  -2.204  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.578  -1.580  -0.705  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.466  -2.072  -0.699  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.958   0.464  -0.663  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.492  -0.467   0.074  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.430   0.737  -1.363  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        1.052   1.030  -0.140  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        2.282   1.696  -0.108  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        2.844   2.074  -1.319  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1        2.281   1.815  -2.524  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        1.098   1.156  -2.515  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  S   LIG    1        3.086   2.074   1.459  0.00  0.00    +0.021 S 
ATOM     20  O   LIG    1        4.290   3.165   1.113  0.00  0.00    -0.152 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.881   0.450   1.579  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        5.167   0.240   1.066  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        5.767  -1.016   1.167  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.091  -2.065   1.788  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.816  -1.860   2.313  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.212  -0.604   2.213  0.00  0.00    +0.016 A 
ENDBRANCH  19  21
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  27
ATOM     27  C   LIG    1       -4.314   1.451   0.950  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.565   1.154   2.175  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -3.634   1.959   2.799  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -4.050   0.398   2.663  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5