REMARK  Name = BDB033436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.144   0.444   0.372  0.00  0.00    -0.211 N 
ATOM      2  H   LIG    1        0.138   1.035  -0.412  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -5.885   0.716   0.956  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -4.398   0.588   0.748  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -3.823  -0.036  -0.394  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -2.426  -0.113  -0.495  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -2.140  -0.767  -1.677  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -1.203  -1.016  -1.981  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -3.292  -1.094  -2.335  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.571   0.403   0.491  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.146   1.036   1.590  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -4.351  -0.657  -1.570  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -3.530   1.117   1.723  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.725  -0.822  -1.932  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -6.840  -0.951  -2.228  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.626  -1.065   0.248  0.00  0.00    +0.110 S 
ATOM     17  O   LIG    1        0.164  -1.934   1.306  0.00  0.00    -0.147 OA
ATOM     18  O   LIG    1        0.555  -1.442  -1.151  0.00  0.00    -0.147 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.341  -0.795   0.555  0.00  0.00    +0.310 A 
ATOM     20  C   LIG    1        3.220   0.148   0.064  0.00  0.00    +0.131 A 
ATOM     21 CL   LIG    1        2.900   1.406  -1.028  0.00  0.00    -0.076 Cl
ATOM     22  C   LIG    1        4.454  -0.154   0.666  0.00  0.00    +0.107 A 
ATOM     23  N   LIG    1        4.363  -1.197   1.490  0.00  0.00    -0.079 NA
ATOM     24  O   LIG    1        3.042  -1.605   1.414  0.00  0.00    -0.332 OA
BRANCH  22  25
ATOM     25  C   LIG    1        5.775   0.631   0.444  0.00  0.00    +0.043 C 
ATOM     26  C   LIG    1        7.075  -0.124   0.320  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1        6.476   0.535  -0.887  0.00  0.00    +0.010 C 
ENDBRANCH  22  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5