REMARK  Name = BDB052929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.046  -2.659  -0.321  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.033  -1.453  -0.093  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1       -2.885  -0.712   0.142  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -2.854   0.724   0.445  0.00  0.00    +0.123 C 
ATOM      5  C   LIG    1       -1.556   1.130   1.165  0.00  0.00    +0.103 C 
ATOM      6  N   LIG    1       -0.343   0.825   0.384  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1       -0.453  -0.457  -0.349  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -1.590  -1.390   0.109  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -5.323  -0.745  -0.122  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -6.125  -0.640   1.021  0.00  0.00    +0.071 A 
ATOM     11 CL   LIG    1       -5.588  -1.291   2.535  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -7.354   0.025   0.914  0.00  0.00    +0.060 A 
ATOM     13 CL   LIG    1       -8.417   0.233   2.263  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1       -7.766   0.562  -0.313  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -6.961   0.440  -1.446  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -5.737  -0.217  -1.353  0.00  0.00    +0.014 A 
ENDBRANCH   2   9
BRANCH   6  17
ATOM     17  C   LIG    1        0.852   0.895   1.238  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.147   0.965   0.455  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1        3.198   0.072   0.733  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        4.421   0.121   0.037  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        4.567   1.105  -0.946  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        3.535   2.005  -1.230  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        2.333   1.938  -0.532  0.00  0.00    +0.005 A 
BRANCH  20  24
ATOM     24  N   LIG    1        5.419  -0.811   0.377  0.00  0.00    -0.294 N 
ATOM     25  H   LIG    1        5.145  -1.469   1.095  0.00  0.00    +0.154 HD
BRANCH  24  26
ATOM     26  C   LIG    1        6.667  -0.966  -0.124  0.00  0.00    +0.162 A 
ATOM     27  S   LIG    1        7.649  -2.249   0.511  0.00  0.00    -0.061 S 
ATOM     28  C   LIG    1        8.924  -1.801  -0.537  0.00  0.00    +0.068 A 
ATOM     29  C   LIG    1        8.537  -0.722  -1.295  0.00  0.00    +0.120 A 
ATOM     30  N   LIG    1        7.262  -0.255  -1.057  0.00  0.00    -0.233 NA
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 5