REMARK  Name = BDB058867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.027  -3.386   0.804  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        0.408  -2.442   0.320  0.00  0.00    +0.277 C 
ATOM      3  N   LIG    1        0.988  -1.211   0.063  0.00  0.00    -0.227 N 
ATOM      4  H   LIG    1        0.350  -0.413  -0.032  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.045  -2.517  -0.015  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -1.597  -1.380  -0.519  0.00  0.00    -0.242 NA
ATOM      7  C   LIG    1       -2.921  -1.406  -0.818  0.00  0.00    +0.072 A 
ATOM      8  C   LIG    1       -3.691  -2.556  -0.630  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -3.097  -3.708  -0.114  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -1.746  -3.693   0.204  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.479  -0.150  -1.358  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.704   0.681  -2.189  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -3.215   1.872  -2.713  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.516   2.262  -2.412  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.303   1.465  -1.586  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.788   0.273  -1.064  0.00  0.00    +0.010 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.327  -0.936   0.764  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.697  -1.814   1.161  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.222   0.213   2.030  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        1.081   1.064   1.764  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.360  -0.517   3.272  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.696   1.157   1.755  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        4.816   0.958   2.567  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.963   1.722   2.351  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.984   2.680   1.335  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.859   2.883   0.534  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.708   2.124   0.744  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5