REMARK  Name = BDB047939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.552  -1.002   1.849  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.866  -0.629   1.857  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        3.171   0.384   2.770  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        4.473   0.876   2.885  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        5.495   0.361   2.079  0.00  0.00    -0.042 A 
ATOM      6  C   LIG    1        5.185  -0.651   1.160  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        3.879  -1.142   1.050  0.00  0.00    +0.046 A 
BRANCH   5   8
ATOM      8  C   LIG    1        6.896   0.916   2.166  0.00  0.00    +0.083 C 
BRANCH   8   9
ATOM      9  C   LIG    1        7.237   2.043   1.233  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        6.531   2.736   0.318  0.00  0.00    +0.204 A 
ATOM     11  N   LIG    1        7.236   3.700  -0.332  0.00  0.00    -0.287 N 
ATOM     12  H   LIG    1        6.816   4.284  -1.038  0.00  0.00    +0.172 HD
ATOM     13  C   LIG    1        8.550   3.847   0.015  0.00  0.00    +0.291 A 
ATOM     14  O   LIG    1        9.352   4.642  -0.440  0.00  0.00    -0.260 OA
ATOM     15  S   LIG    1        8.901   2.657   1.270  0.00  0.00    -0.028 S 
BRANCH  10  16
ATOM     16  O   LIG    1        5.233   2.627  -0.057  0.00  0.00    -0.493 OA
ATOM     17  H   LIG    1        4.803   1.929   0.464  0.00  0.00    +0.294 HD
ENDBRANCH  10  16
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.157  -2.137   1.068  0.00  0.00    +0.247 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.778  -1.710  -0.354  0.00  0.00    +0.145 C 
BRANCH  19  22
ATOM     20  O   LIG    1       -1.903  -2.537  -0.258  0.00  0.00    -0.276 OA
ATOM     21  C   LIG    1       -1.658  -1.336  -0.271  0.00  0.00    +0.213 C 
ATOM     22  N   LIG    1       -0.379  -0.830  -0.374  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1       -0.226   0.139  -0.124  0.00  0.00    +0.149 HD
BRANCH  21  24
ATOM     24  C   LIG    1       -2.714  -0.252  -0.159  0.00  0.00    +0.096 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.146  -0.788  -0.199  0.00  0.00    +0.009 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.570  -1.208  -1.611  0.00  0.00    +0.002 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.952  -1.873  -1.660  0.00  0.00    +0.015 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -7.111  -0.998  -1.167  0.00  0.00    +0.058 C 
ATOM     29  S   LIG    1       -8.686  -1.909  -1.323  0.00  0.00    -0.090 S 
ATOM     30  S   LIG    1       -9.891  -0.295  -1.696  0.00  0.00    -0.093 S 
ATOM     31  C   LIG    1       -8.603   0.968  -1.586  0.00  0.00    +0.082 C 
ATOM     32  C   LIG    1       -7.290   0.295  -1.969  0.00  0.00    +0.026 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12