REMARK  Name = BDB034921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.204  -1.798  -0.602  0.00  0.00    -0.136 NA
ATOM      2  C   LIG    1        0.394  -2.083   0.508  0.00  0.00    +0.167 A 
ATOM      3  N   LIG    1        1.738  -1.881   0.805  0.00  0.00    -0.324 N 
ATOM      4  C   LIG    1        2.104  -2.274   2.084  0.00  0.00    +0.095 A 
ATOM      5  C   LIG    1        1.118  -2.773   2.838  0.00  0.00    +0.066 A 
ATOM      6  S   LIG    1       -0.390  -2.795   1.962  0.00  0.00    -0.060 S 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -1.875  -3.257  -1.077  0.00  0.00    -0.247 OA
ATOM      8  C   LIG    1       -1.529  -2.138  -0.710  0.00  0.00    +0.345 C 
ATOM      9  N   LIG    1       -2.578  -1.211  -0.447  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -2.470   0.128  -0.066  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1       -3.768   0.621   0.093  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1       -4.050   1.893   0.464  0.00  0.00    -0.253 NA
ATOM     13  C   LIG    1       -2.977   2.680   0.672  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -1.657   2.286   0.537  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -4.676  -0.414  -0.197  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1       -1.377   0.977   0.157  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -3.933  -1.520  -0.528  0.00  0.00    +0.098 A 
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1        2.676  -1.378  -0.191  0.00  0.00    +0.158 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.584   0.124  -0.343  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1        2.125   0.688  -1.543  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        2.039   2.074  -1.690  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.413   2.911  -0.641  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.871   2.365   0.556  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.958   0.980   0.705  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 3