REMARK  Name = BDB015855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.591   2.346  -0.494  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -1.891   1.004  -0.254  0.00  0.00    +0.133 A 
ATOM      3  N   LIG    1       -0.917   0.083  -0.119  0.00  0.00    -0.212 NA
ATOM      4  C   LIG    1        0.367   0.473  -0.242  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        0.746   1.738  -0.487  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -0.245   2.641  -0.609  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.637   6.633  -0.462  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1       -4.020   5.296  -0.646  0.00  0.00    +0.099 A 
ATOM      9  S   LIG    1       -2.464   4.949  -0.008  0.00  0.00    -0.051 S 
ATOM     10  C   LIG    1       -2.626   3.363  -0.663  0.00  0.00    +0.137 A 
ATOM     11  N   LIG    1       -3.771   3.171  -1.292  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1       -4.575   4.290  -1.286  0.00  0.00    -0.146 NA
ENDBRANCH   1  10
BRANCH   4  13
ATOM     13  C   LIG    1        1.420  -0.553  -0.103  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.788  -0.207  -0.106  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.804  -1.170   0.026  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.442  -2.514   0.161  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        2.099  -2.887   0.167  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.103  -1.916   0.036  0.00  0.00    +0.011 A 
BRANCH  15  19
ATOM     19  C   LIG    1        5.199  -0.763   0.012  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        6.233  -1.425   0.644  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        7.364  -0.704   0.392  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1        8.701  -0.999   0.846  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        7.148   0.389  -0.361  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        5.832   0.353  -0.588  0.00  0.00    +0.142 A 
ENDBRANCH  15  19
ENDBRANCH   4  13
BRANCH   2  25
ATOM     25  N   LIG    1       -3.222   0.615  -0.044  0.00  0.00    -0.324 N 
ATOM     26  H   LIG    1       -3.832   1.099  -0.707  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.600  -0.796   0.104  0.00  0.00    +0.086 C 
ATOM     28  C   LIG    1       -3.235  -1.692  -1.098  0.00  0.00    +0.103 C 
ATOM     29  N   LIG    1       -3.778  -3.058  -1.016  0.00  0.00    -0.314 NA
ATOM     30  H   LIG    1       -4.654  -3.118  -1.533  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1       -3.991  -3.527   0.356  0.00  0.00    +0.081 C 
ATOM     32  C   LIG    1       -3.011  -2.924   1.359  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -3.147  -1.401   1.440  0.00  0.00    +0.025 C 
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 5