REMARK  Name = BDB033498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.394  -0.966   1.277  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1        3.164  -1.423   1.765  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.833   0.134   2.001  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.334   1.269   1.353  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        0.772   2.357   2.034  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        0.455   3.336   1.033  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1        0.791   2.815  -0.198  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1        0.653   2.284   3.449  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1        0.056   3.365   4.312  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        1.155   1.134   4.098  0.00  0.00    +0.006 A 
ATOM     11  N   LIG    1        1.306   1.565   0.009  0.00  0.00    -0.358 N 
ATOM     12  H   LIG    1        1.608   0.916  -0.715  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1        1.736   0.086   3.389  0.00  0.00    +0.027 A 
BRANCH   6  14
ATOM     14  C   LIG    1       -0.103   4.640   1.217  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -0.547   5.706   1.353  0.00  0.00    -0.191 NA
ENDBRANCH   6  14
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1        1.312  -2.186   0.795  0.00  0.00    +0.091 S 
ATOM     17  O   LIG    1        0.257  -2.328   1.778  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        2.126  -3.319   0.402  0.00  0.00    -0.148 OA
BRANCH  16  21
ATOM     19  N   LIG    1       -0.887  -1.670  -2.364  0.00  0.00    -0.335 N 
ATOM     20  C   LIG    1       -0.640  -2.324  -1.191  0.00  0.00    +0.136 A 
ATOM     21  C   LIG    1        0.501  -1.729  -0.681  0.00  0.00    +0.214 A 
ATOM     22  N   LIG    1        0.941  -0.719  -1.530  0.00  0.00    -0.216 NA
ATOM     23  C   LIG    1        0.069  -0.705  -2.516  0.00  0.00    +0.201 A 
BRANCH  19  24
ATOM     24  C   LIG    1       -2.004  -1.918  -3.258  0.00  0.00    +0.122 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -2.770  -2.655  -5.533  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -1.570  -2.303  -4.673  0.00  0.00    +0.018 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 6