REMARK  Name = BDB064088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.502   1.505   0.587  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -2.252   0.319   0.459  0.00  0.00    +0.266 C 
ATOM      3  N   LIG    1       -3.138  -0.734   0.346  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1       -2.454  -1.917   0.107  0.00  0.00    +0.144 C 
ATOM      5  S   LIG    1       -3.047  -3.442  -0.155  0.00  0.00    -0.018 S 
ATOM      6  N   LIG    1       -1.099  -1.627   0.113  0.00  0.00    -0.292 N 
ATOM      7  H   LIG    1       -0.333  -2.280  -0.030  0.00  0.00    +0.154 HD
ATOM      8  C   LIG    1       -0.902  -0.294   0.323  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1        0.263   0.357   0.384  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.562  -0.232   0.243  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1        2.794   0.489   0.316  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        3.783  -0.471   0.126  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1        5.149  -0.175   0.125  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        5.513   1.160   0.327  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        4.548   2.148   0.520  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1        3.111  -1.650  -0.040  0.00  0.00    -0.276 N 
ATOM     17  H   LIG    1        3.513  -2.566  -0.202  0.00  0.00    +0.189 HD
ATOM     18  C   LIG    1        3.184   1.828   0.517  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1        1.773  -1.541   0.025  0.00  0.00    -0.173 NA
ENDBRANCH   9  10
BRANCH   3  20
ATOM     20  C   LIG    1       -4.585  -0.537   0.410  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.122   0.181  -0.832  0.00  0.00    +0.175 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.970   1.595  -0.741  0.00  0.00    -0.393 OA
ATOM     23  H   LIG    1       -4.086   1.794  -0.367  0.00  0.00    +0.209 HD
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4