REMARK  Name = BDB059620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.584  -0.034   2.617  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1       -0.774   0.974   2.654  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        2.211   0.303   0.198  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1        1.095   0.611   0.975  0.00  0.00    +0.164 A 
ATOM      5  C   LIG    1        0.614  -0.334   1.893  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1        1.258  -1.560   2.054  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.391  -1.841   1.294  0.00  0.00    +0.045 A 
ATOM      8 CL   LIG    1        3.195  -3.349   1.485  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.874  -0.918   0.366  0.00  0.00    +0.050 A 
BRANCH   3  11
ATOM     10  C   LIG    1        2.199   0.828  -2.541  0.00  0.00    +0.200 C 
ATOM     11  S   LIG    1        2.836   1.441  -1.003  0.00  0.00    -0.002 S 
ATOM     12  O   LIG    1        2.199   2.717  -0.725  0.00  0.00    -0.170 OA
ATOM     13  O   LIG    1        4.279   1.313  -1.009  0.00  0.00    -0.170 OA
ENDBRANCH   3  11
BRANCH   4  14
ATOM     14  O   LIG    1        0.397   1.789   0.898  0.00  0.00    -0.503 OA
ATOM     15  H   LIG    1        0.918   2.465   0.404  0.00  0.00    +0.292 HD
ENDBRANCH   4  14
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1       -1.994  -0.870   2.184  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1       -1.770  -2.293   2.306  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -3.091  -0.217   2.873  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -2.190  -0.494   0.464  0.00  0.00    +0.151 A 
ATOM     20  C   LIG    1       -2.954   0.597   0.047  0.00  0.00    +0.143 A 
ATOM     21  C   LIG    1       -3.047   0.894  -1.312  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -2.401   0.091  -2.255  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -1.669  -1.017  -1.833  0.00  0.00    +0.020 A 
ATOM     24 BR   LIG    1       -0.781  -2.096  -3.104  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1       -1.570  -1.326  -0.479  0.00  0.00    +0.047 A 
BRANCH  20  26
ATOM     26  O   LIG    1       -3.638   1.433   0.883  0.00  0.00    -0.505 OA
ATOM     27  H   LIG    1       -3.753   1.017   1.766  0.00  0.00    +0.292 HD
ENDBRANCH  20  26
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6