REMARK  Name = BDB028704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.932  -1.527  -0.595  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.424  -1.440  -0.186  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.389  -1.805   1.145  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        1.502  -1.868   1.978  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        2.734  -1.529   1.396  0.00  0.00    -0.034 A 
ATOM      6  C   LIG    1        2.799  -1.151   0.038  0.00  0.00    +0.050 A 
ATOM      7  O   LIG    1       -0.892  -2.083   1.503  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.654  -1.093  -0.778  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -1.725  -1.905   0.412  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.366  -1.237  -1.881  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.696  -0.812  -2.519  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.962  -0.979  -2.302  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.668  -2.223  -2.078  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.936  -0.386  -3.627  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -2.752   1.444  -1.030  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.523   0.283  -1.192  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.721   0.157  -0.484  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -5.130   1.172   0.391  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.333   2.298   0.587  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.142   2.433  -0.120  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -1.698   2.625  -2.711  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -1.572   1.610  -1.711  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -5.585  -0.880  -0.703  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -5.582  -1.796   0.395  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        1.633  -0.725  -2.096  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        2.875  -0.351  -2.683  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.001  -1.565   2.227  0.00  0.00    +0.092 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.608  -0.205   2.459  0.00  0.00    +0.064 A 
ATOM     29  N   LIG    1        5.703   0.136   1.729  0.00  0.00    -0.257 NA
ATOM     30  C   LIG    1        6.208   1.369   1.965  0.00  0.00    +0.130 A 
ATOM     31  C   LIG    1        5.647   2.236   2.886  0.00  0.00    +0.130 A 
ATOM     32  N   LIG    1        4.555   1.913   3.612  0.00  0.00    -0.260 NA
ATOM     33  C   LIG    1        4.049   0.680   3.377  0.00  0.00    +0.134 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8