REMARK  Name = BDB045364
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.609   0.616   2.053  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -0.661   0.382   1.708  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -0.876  -0.207   0.510  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        0.168  -0.593  -0.319  0.00  0.00    +0.118 A 
ATOM      5  C   LIG    1        1.459  -0.328   0.129  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        1.670   0.277   1.313  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.307  -0.403   0.203  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -3.132  -1.086   1.118  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -4.492  -1.279   0.865  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -5.031  -0.797  -0.338  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -4.241  -0.089  -1.258  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -2.886   0.107  -0.975  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -5.357  -1.935   1.702  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -4.911  -2.197   3.025  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1       -6.378  -0.953  -0.583  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -6.602  -2.165  -1.300  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1       -4.881   0.366  -2.381  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -4.095   1.009  -3.375  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1       -0.059  -1.254  -1.563  0.00  0.00    +0.105 C 
ATOM     20  N   LIG    1       -0.223  -1.804  -2.572  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   5  21
ATOM     21  N   LIG    1        2.569  -0.670  -0.686  0.00  0.00    -0.298 N 
ATOM     22  H   LIG    1        2.498  -1.624  -1.030  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.920  -0.270  -0.576  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        4.325   0.905   0.063  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.673   1.284   0.087  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        6.645   0.512  -0.548  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        6.253  -0.643  -1.219  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1        4.903  -1.020  -1.240  0.00  0.00    +0.027 A 
BRANCH  26  29
ATOM     29  O   LIG    1        7.919   0.995  -0.448  0.00  0.00    -0.495 OA
ATOM     30  C   LIG    1        8.947   0.228  -1.060  0.00  0.00    +0.277 C 
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH   5  21
BRANCH   1  31
ATOM     31  S   LIG    1        0.924   1.388   3.612  0.00  0.00    -0.073 S 
BRANCH  31  32
ATOM     32  C   LIG    1       -0.210   2.797   3.459  0.00  0.00    +0.165 C 
BRANCH  32  34
ATOM     33  C   LIG    1        0.557   4.537   1.584  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1        0.212   3.755   2.428  0.00  0.00    -0.094 C 
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   1  31
TORSDOF 11