REMARK  Name = BDB032967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.233  -0.339   0.783  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.828   0.292   0.174  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.675   1.070  -0.450  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.207  -1.332   1.495  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.498  -1.937  -0.293  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.618  -0.462  -0.026  0.00  0.00    -0.037 A 
ATOM      7  C   LIG    1       -1.547   0.294   0.488  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -1.705   1.665   0.751  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.926   2.291   0.496  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -3.989   1.548  -0.012  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -5.495   2.318  -0.322  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -3.843   0.183  -0.267  0.00  0.00    +0.024 A 
ENDBRANCH   1   7
BRANCH   2  13
ATOM     13  C   LIG    1        2.117  -0.137   0.325  0.00  0.00    +0.167 A 
ATOM     14  S   LIG    1        3.257   0.771  -0.570  0.00  0.00    -0.028 S 
ATOM     15  C   LIG    1        4.486  -0.230   0.048  0.00  0.00    +0.185 A 
ATOM     16  C   LIG    1        3.965  -1.183   0.890  0.00  0.00    +0.153 A 
ATOM     17  N   LIG    1        2.591  -1.121   1.046  0.00  0.00    -0.231 NA
BRANCH  15  18
ATOM     18  N   LIG    1        5.857  -0.047  -0.303  0.00  0.00    +0.065 N 
ATOM     19  O   LIG    1        6.665  -0.835   0.205  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1        6.142   0.874  -1.078  0.00  0.00    -0.126 OA
ENDBRANCH  15  18
ENDBRANCH   2  13
TORSDOF 3