REMARK  Name = BDB063458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.228  -0.410  -1.007  0.00  0.00    -0.024 C 
ATOM      2  C   LIG    1       -0.481   0.029   0.458  0.00  0.00    +0.026 C 
ATOM      3  C   LIG    1       -1.855   0.631   0.740  0.00  0.00    +0.107 C 
ATOM      4  N   LIG    1       -2.913  -0.261   0.262  0.00  0.00    -0.310 N 
ATOM      5  C   LIG    1       -2.834  -0.570  -1.171  0.00  0.00    +0.107 C 
ATOM      6  C   LIG    1       -1.475  -1.175  -1.530  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.186  -0.093   0.755  0.00  0.00    +0.162 A 
ATOM      8  S   LIG    1       -4.522   0.279   2.416  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1       -6.210   0.255   2.111  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -6.417  -0.047   0.768  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1       -7.739  -0.126   0.284  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -8.812   0.100   1.154  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -8.575   0.400   2.491  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1       -9.908   0.675   3.547  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -7.276   0.483   2.998  0.00  0.00    +0.037 A 
ATOM     16  N   LIG    1       -5.271  -0.246   0.025  0.00  0.00    -0.225 NA
ENDBRANCH   4   7
BRANCH   1  18
ATOM     17  C   LIG    1       -0.908   1.697  -2.486  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        0.173   0.793  -1.917  0.00  0.00    +0.004 C 
ENDBRANCH   1  18
BRANCH   1  19
ATOM     19  C   LIG    1        0.961  -1.448  -1.015  0.00  0.00    +0.048 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.307  -0.997  -0.429  0.00  0.00    +0.229 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.907  -0.029  -1.282  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.155   0.434  -0.961  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        4.754   1.316  -1.873  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1        3.945   1.801  -3.324  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        6.029   1.833  -1.633  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        6.722   1.478  -0.476  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        6.143   0.606   0.454  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        4.856   0.092   0.202  0.00  0.00    +0.051 A 
BRANCH  27  29
ATOM     29  C   LIG    1        6.881   0.238   1.722  0.00  0.00    +0.155 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.252  -1.227   1.846  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1        6.908  -2.123   1.092  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.014  -1.474   2.942  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        8.223  -0.685   3.477  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9