REMARK  Name = BDB055518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.252  -0.129   0.403  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1       -1.303   0.652  -0.270  0.00  0.00    +0.160 C 
ATOM      3  C   LIG    1       -1.215   0.230  -1.744  0.00  0.00    +0.078 C 
ATOM      4  S   LIG    1       -0.588   1.127  -3.015  0.00  0.00    -0.038 S 
ATOM      5  N   LIG    1       -1.691  -1.025  -2.053  0.00  0.00    -0.309 N 
ATOM      6  H   LIG    1       -1.837  -1.200  -3.046  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1       -2.121  -2.038  -1.161  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -1.650  -2.191   0.158  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -2.169  -3.220   0.968  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.135  -4.100   0.483  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.570  -3.985  -0.832  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -3.058  -2.973  -1.649  0.00  0.00    +0.063 A 
ATOM     13 CL   LIG    1       -3.646  -2.881  -3.276  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1       -0.470  -1.466   0.714  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1        0.302  -2.111   1.421  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  16
ATOM     16  C   LIG    1       -1.468   2.112   0.164  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1       -2.004   3.110  -0.666  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -2.199   4.420  -0.206  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -1.906   4.746   1.112  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -2.151   6.352   1.675  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -1.446   3.767   1.980  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.253   2.462   1.514  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   1  23
ATOM     23  C   LIG    1        1.131   0.412   0.545  0.00  0.00    +0.216 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.094  -0.047  -0.556  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        2.650   0.909  -1.428  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        3.535   0.534  -2.443  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.887  -0.802  -2.594  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        4.975  -1.268  -3.842  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        3.368  -1.763  -1.733  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        2.482  -1.387  -0.718  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  C   LIG    1        1.680   0.300   1.993  0.00  0.00    +0.332 C 
ATOM     32  O   LIG    1        0.990   0.430   3.003  0.00  0.00    -0.248 OA
BRANCH  31  34
ATOM     33  C   LIG    1        3.586   0.027   3.333  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1        3.035   0.142   2.021  0.00  0.00    -0.466 OA
ENDBRANCH  31  34
ENDBRANCH  23  31
ENDBRANCH   1  23
TORSDOF 5