REMARK  Name = BDB034901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.179  -0.587  -0.117  0.00  0.00    +0.047 A 
ATOM      2  N   LIG    1       -1.168   0.286   0.345  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1        0.060  -0.313   0.638  0.00  0.00    +0.171 A 
ATOM      4  N   LIG    1        1.135   0.278   1.051  0.00  0.00    -0.152 NA
ATOM      5  S   LIG    1       -0.091  -2.059   0.271  0.00  0.00    -0.060 S 
ATOM      6  C   LIG    1       -1.755  -1.862  -0.206  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.352   1.680   0.542  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -1.509   2.242   1.823  0.00  0.00    +0.065 A 
ATOM      9 CL   LIG    1       -1.566   1.255   3.241  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -1.669   3.622   1.979  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -1.672   4.457   0.862  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.518   3.916  -0.413  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.358   2.538  -0.572  0.00  0.00    +0.028 A 
ENDBRANCH   2   7
BRANCH   4  14
ATOM     14  C   LIG    1        2.236  -0.491   1.303  0.00  0.00    +0.272 C 
ATOM     15  O   LIG    1        2.345  -1.252   2.257  0.00  0.00    -0.268 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.306  -0.276   0.329  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        4.569  -0.954   0.271  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        5.267  -0.435  -0.814  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        6.495  -0.779  -1.245  0.00  0.00    -0.237 NA
ATOM     20  C   LIG    1        7.062  -1.748  -0.491  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1        6.486  -2.357   0.616  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        4.488   0.519  -1.401  0.00  0.00    -0.345 N 
ATOM     23  H   LIG    1        4.776   1.051  -2.210  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        5.210  -1.960   1.017  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        3.300   0.628  -0.729  0.00  0.00    +0.098 A 
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   1  26
ATOM     26  C   LIG    1       -3.572  -0.059  -0.415  0.00  0.00    +0.138 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -5.105  -1.865   0.239  0.00  0.00    +0.105 C 
ATOM     28  N   LIG    1       -4.673  -0.944  -0.800  0.00  0.00    -0.303 NA
ATOM     29  C   LIG    1       -4.543  -1.558  -2.110  0.00  0.00    +0.105 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 5