REMARK  Name = BDB034894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.214  -1.433  -0.096  0.00  0.00    +0.117 A 
ATOM      2  N   LIG    1       -1.506  -0.233   0.018  0.00  0.00    -0.284 N 
ATOM      3  C   LIG    1       -0.210  -0.377   0.515  0.00  0.00    +0.171 A 
ATOM      4  N   LIG    1        0.657   0.562   0.728  0.00  0.00    -0.152 NA
ATOM      5  S   LIG    1        0.079  -2.136   0.794  0.00  0.00    -0.059 S 
ATOM      6  C   LIG    1       -1.531  -2.534   0.256  0.00  0.00    +0.080 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.072   1.051  -0.202  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -3.097   1.583   0.604  0.00  0.00    +0.065 A 
ATOM      9 CL   LIG    1       -3.712   0.731   1.981  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -3.623   2.853   0.344  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -3.133   3.611  -0.719  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.112   3.106  -1.519  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.584   1.839  -1.261  0.00  0.00    +0.028 A 
ENDBRANCH   2   7
BRANCH   1  17
ATOM     14  C   LIG    1       -5.852  -2.344  -0.295  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -4.455  -2.293   0.058  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -4.203  -2.530   1.010  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -3.578  -1.532  -0.682  0.00  0.00    +0.261 C 
ATOM     18  O   LIG    1       -3.873  -0.953  -1.720  0.00  0.00    -0.269 OA
ENDBRANCH   1  17
BRANCH   4  19
ATOM     19  C   LIG    1        1.865   0.223   1.278  0.00  0.00    +0.270 C 
ATOM     20  O   LIG    1        1.995  -0.154   2.435  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.050   0.394   0.391  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.259  -0.230   0.655  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        4.713  -1.130   1.708  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        5.995  -1.448   1.466  0.00  0.00    -0.020 C 
ATOM     25  C   LIG    1        6.528  -0.787   0.219  0.00  0.00    +0.083 C 
ATOM     26  C   LIG    1        5.313  -0.018  -0.235  0.00  0.00    +0.053 A 
ATOM     27  N   LIG    1        5.266   0.747  -1.343  0.00  0.00    -0.259 NA
ATOM     28  C   LIG    1        4.078   1.346  -1.572  0.00  0.00    +0.112 A 
ATOM     29  C   LIG    1        2.961   1.203  -0.753  0.00  0.00    +0.033 A 
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 4