REMARK  Name = BDB015674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.312   0.611   0.019  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.012   1.876   0.315  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.296   2.139   0.417  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.283   1.246   0.242  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.924  -0.021  -0.038  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.396  -0.400  -0.131  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.044  -0.983  -0.191  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.980  -1.961  -1.115  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.009  -2.872  -1.299  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.846  -3.897  -2.320  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.187  -2.837  -0.554  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.112  -3.636  -0.687  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.287  -1.736   0.456  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.552  -1.656   1.247  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.263  -0.880   0.598  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.715   0.406  -0.017  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1        3.135   1.311   0.209  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.338  -0.121  -1.497  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        3.651   1.068  -2.259  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.478  -1.147  -2.049  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.891  -0.908  -0.981  0.00  0.00    +0.148 C 
ATOM     22  C   LIG    1        5.822   0.111  -0.329  0.00  0.00    +0.033 C 
BRANCH  21  23
ATOM     23  C   LIG    1        4.606  -2.140  -0.102  0.00  0.00    +0.027 C 
BRANCH  23  25
ATOM     24  C   LIG    1        6.401  -2.623   1.645  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        5.846  -2.962   0.268  0.00  0.00    -0.001 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  26
ATOM     26  O   LIG    1       -0.603   3.461   0.721  0.00  0.00    -0.422 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.934   3.732   0.947  0.00  0.00    +0.153 A 
ATOM     28  C   LIG    1       -2.506   3.501   2.207  0.00  0.00    +0.084 A 
ATOM     29 CL   LIG    1       -1.583   2.862   3.520  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1       -3.851   3.798   2.426  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1       -4.622   4.335   1.395  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -4.048   4.586   0.147  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -2.695   4.303  -0.088  0.00  0.00    -0.007 A 
ATOM     34  C   LIG    1       -2.095   4.567  -1.439  0.00  0.00    +0.047 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 8