REMARK  Name = BDB057815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.809  -0.543   0.971  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -3.304  -1.774   1.155  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -2.375  -2.755   1.178  0.00  0.00    +0.084 A 
ATOM      4  C   LIG    1       -1.015  -2.510   1.031  0.00  0.00    +0.077 A 
ATOM      5  S   LIG    1       -0.113  -3.977   1.105  0.00  0.00    -0.092 S 
ATOM      6  C   LIG    1       -1.522  -4.917   1.333  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -0.573  -1.194   0.853  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1       -2.658  -4.142   1.353  0.00  0.00    +0.036 A 
ATOM      9  N   LIG    1       -1.508  -0.221   0.832  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -4.927   0.631   0.155  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1       -3.766   0.579   0.972  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.516   1.661   1.848  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.388   2.744   1.948  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.538   2.773   1.173  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.806   1.728   0.289  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.574   0.104  -2.256  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.253  -0.460  -0.865  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -6.398  -1.345  -0.366  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  N   LIG    1        0.777  -0.876   0.717  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        1.334  -1.669   0.413  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.060   0.368   0.025  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.555   0.495  -0.162  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.141   0.307  -1.418  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.527   0.413  -1.578  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.365   0.702  -0.488  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        4.767   0.881   0.770  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.382   0.778   0.932  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.821   0.809  -0.659  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.713   0.095   0.142  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1        9.065   0.150   0.040  0.00  0.00    -0.263 NA
ATOM     31  C   LIG    1        9.564   0.960  -0.916  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        8.778   1.713  -1.770  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        7.392   1.634  -1.637  0.00  0.00    +0.011 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6