REMARK  Name = BDB037230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.143  -1.014   1.030  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -1.268  -0.523   0.148  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.130  -1.515   1.371  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.302  -2.430   2.160  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.286  -0.833   0.691  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        2.422  -1.567   0.595  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.486  -1.004  -0.012  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.472   0.271  -0.568  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.289   1.011  -0.452  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.180   0.459   0.185  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.660  -1.724  -0.105  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        4.606  -2.981   0.567  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.687   0.866  -1.224  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.385   1.764  -0.316  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.096   3.083  -0.317  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.916   3.585   0.611  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.730   2.599   1.198  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.367   1.429   0.574  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.554  -1.696   1.622  0.00  0.00    +0.081 S 
ATOM     20  O   LIG    1       -2.599  -1.397   3.036  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.672  -3.036   1.091  0.00  0.00    -0.150 OA
BRANCH  19  25
ATOM     22  C   LIG    1       -5.866   0.747  -0.374  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1       -4.711   0.439  -1.092  0.00  0.00    +0.093 A 
ATOM     24  C   LIG    1       -3.703  -0.335  -0.500  0.00  0.00    +0.153 A 
ATOM     25  C   LIG    1       -3.823  -0.762   0.825  0.00  0.00    +0.185 A 
ATOM     26  C   LIG    1       -4.982  -0.464   1.529  0.00  0.00    +0.157 A 
ATOM     27  F   LIG    1       -5.178  -0.899   2.779  0.00  0.00    -0.203 F 
ATOM     28  C   LIG    1       -5.998   0.284   0.936  0.00  0.00    +0.086 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -6.852   1.972  -2.162  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.925   1.480  -0.829  0.00  0.00    -0.495 OA
ENDBRANCH  22  30
BRANCH  24  31
ATOM     31  O   LIG    1       -2.567  -0.597  -1.225  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -2.819  -1.626  -2.193  0.00  0.00    +0.277 C 
ENDBRANCH  24  31
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 8