REMARK  Name = BDB055564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.679  -0.495  -0.902  0.00  0.00    -0.251 N 
ATOM      2  C   LIG    1       -2.275  -0.031  -2.035  0.00  0.00    +0.141 C 
ATOM      3  S   LIG    1       -1.604   0.327  -3.508  0.00  0.00    -0.018 S 
ATOM      4  N   LIG    1       -3.619   0.125  -1.804  0.00  0.00    -0.305 N 
ATOM      5  H   LIG    1       -4.236   0.548  -2.484  0.00  0.00    +0.149 HD
ATOM      6  C   LIG    1       -4.011  -0.175  -0.436  0.00  0.00    +0.162 C 
ATOM      7  C   LIG    1       -2.608  -0.587   0.113  0.00  0.00    +0.254 C 
ATOM      8  O   LIG    1       -2.353  -0.921   1.267  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.966  -1.375  -0.346  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -5.452  -1.786   0.912  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -6.320  -2.872   1.031  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.718  -3.573  -0.103  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.246  -3.191  -1.356  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.376  -2.104  -1.478  0.00  0.00    +0.006 A 
ENDBRANCH   6   9
BRANCH   6  15
ATOM     15  C   LIG    1       -4.590   1.109   0.177  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1       -3.910   1.868   1.145  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -4.468   3.042   1.660  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.710   3.484   1.216  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.401   2.753   0.255  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.847   1.580  -0.261  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  21
ATOM     21  C   LIG    1       -0.262  -0.765  -0.684  0.00  0.00    +0.115 C 
BRANCH  21  22
ATOM     22  C   LIG    1        0.472   0.479  -0.178  0.00  0.00    +0.019 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.939   0.220   0.175  0.00  0.00    +0.002 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.806  -0.104  -1.044  0.00  0.00    +0.000 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.276  -0.364  -0.692  0.00  0.00    +0.000 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.999   0.875  -0.157  0.00  0.00    -0.000 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.516   0.687  -0.034  0.00  0.00    -0.000 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.914  -0.348   1.022  0.00  0.00    -0.000 C 
BRANCH  28  30
ATOM     29  C   LIG    1        9.146   0.694   1.696  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        8.429  -0.530   1.149  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 11