REMARK  Name = BDB025074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.754   0.350   1.752  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -3.820  -0.494   1.123  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.211  -1.888   0.828  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -4.929  -1.982  -0.525  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -3.032  -2.850   0.941  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -1.927  -2.449  -0.008  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.595  -0.990   0.130  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.335  -0.531  -0.321  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.675  -1.252  -0.896  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.654  -0.409  -1.155  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1        1.313   0.866  -0.724  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.025   0.804  -0.218  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -0.856   1.746   0.312  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.113   1.291   0.743  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -2.513  -0.053   0.674  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -4.568   1.502   2.129  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.143   2.054  -0.776  0.00  0.00    +0.111 C 
ATOM     18  C   LIG    1        2.410   2.710   0.577  0.00  0.00    +0.191 C 
ATOM     19  S   LIG    1        3.106   4.295   0.150  0.00  0.00    -0.029 S 
ATOM     20  O   LIG    1        2.393   5.323   0.875  0.00  0.00    -0.174 OA
ATOM     21  O   LIG    1        4.548   4.171   0.180  0.00  0.00    -0.174 OA
ATOM     22  C   LIG    1        2.584   4.321  -1.560  0.00  0.00    +0.168 C 
ATOM     23  C   LIG    1        1.616   3.155  -1.710  0.00  0.00    +0.049 C 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1       -6.955   0.548   2.571  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1       -5.967  -0.260   1.931  0.00  0.00    -0.453 OA
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  C   LIG    1        2.934  -0.870  -1.818  0.00  0.00    +0.073 C 
ATOM     27  C   LIG    1        3.216  -0.144  -3.134  0.00  0.00    +0.017 C 
BRANCH  26  28
ATOM     28  C   LIG    1        4.135  -0.863  -0.865  0.00  0.00    +0.154 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.118  -1.985   0.061  0.00  0.00    -0.269 N 
ATOM     30  N   LIG    1        4.817  -3.099  -0.237  0.00  0.00    -0.178 NA
ATOM     31  C   LIG    1        4.593  -3.896   0.814  0.00  0.00    +0.154 A 
ATOM     32  C   LIG    1        3.777  -3.285   1.782  0.00  0.00    +0.078 A 
ATOM     33 CL   LIG    1        3.271  -3.957   3.247  0.00  0.00    -0.080 Cl
ATOM     34  C   LIG    1        3.495  -2.041   1.274  0.00  0.00    +0.128 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  10  26
TORSDOF 5