REMARK  Name = BDB059777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.734  -1.555   0.460  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        0.407  -1.106   0.233  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.647  -1.402   1.107  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -0.352  -2.185   2.215  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -1.235  -2.687   3.299  0.00  0.00    +0.197 C 
ATOM      6  O   LIG    1       -0.348  -3.277   4.274  0.00  0.00    -0.371 OA
ATOM      7  C   LIG    1        0.963  -3.451   3.696  0.00  0.00    +0.196 C 
ATOM      8  C   LIG    1        0.938  -2.639   2.454  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1        1.985  -2.336   1.598  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.850  -0.602  -2.249  0.00  0.00    +0.238 A 
ATOM     11  C   LIG    1        3.973   0.417  -1.867  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1        2.944   0.107  -0.982  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        2.815  -1.195  -0.476  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        3.762  -2.127  -0.917  0.00  0.00    +0.123 A 
ATOM     15  N   LIG    1        4.781  -1.865  -1.775  0.00  0.00    -0.219 NA
BRANCH  10  17
ATOM     16  C   LIG    1        6.532  -1.381  -3.674  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1        5.868  -0.249  -3.120  0.00  0.00    -0.478 OA
ENDBRANCH  10  17
BRANCH  11  18
ATOM     18  N   LIG    1        4.043   1.730  -2.452  0.00  0.00    -0.216 N 
ATOM     19  H   LIG    1        5.006   1.979  -2.706  0.00  0.00    +0.173 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.109   1.934  -3.859  0.00  0.00    +0.040 S 
ATOM     21  O   LIG    1        3.880   2.816  -4.710  0.00  0.00    -0.155 OA
ATOM     22  O   LIG    1        2.630   0.655  -4.333  0.00  0.00    -0.155 OA
ATOM     23  C   LIG    1        1.735   2.867  -3.220  0.00  0.00    +0.218 C 
ENDBRANCH  18  20
ENDBRANCH  11  18
ENDBRANCH   1  13
BRANCH   3  24
ATOM     24  N   LIG    1       -1.972  -0.959   0.912  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1       -2.656  -1.273   1.587  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1       -2.425  -0.050  -0.040  0.00  0.00    +0.231 C 
ATOM     27  O   LIG    1       -1.728   0.557  -0.847  0.00  0.00    -0.274 OA
BRANCH  26  28
ATOM     28  C   LIG    1       -3.948   0.158   0.023  0.00  0.00    +0.181 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.292   1.451   0.648  0.00  0.00    -0.290 NA
ATOM     30  C   LIG    1       -3.930   1.514   2.080  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1       -4.382   2.840   2.716  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -5.795   3.028   2.567  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -6.142   3.036   1.175  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -5.740   1.714   0.504  0.00  0.00    +0.113 C 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   3  24
TORSDOF 7