REMARK  Name = BDB015673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.481  -1.269  -0.366  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.542  -0.645  -1.545  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.437   0.020  -1.899  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.688   0.099  -1.170  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.719  -0.580  -0.007  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.355  -1.329   0.420  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.999  -0.502   0.745  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.007  -0.528   2.092  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.178  -0.443   2.829  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.084  -0.495   4.281  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.432  -0.311   2.234  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.488  -0.242   2.858  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.441  -0.247   0.738  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.769  -0.074   0.075  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.280  -0.339   0.070  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.631  -2.042  -0.120  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1        2.759  -2.861  -0.711  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.361  -2.067   1.376  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        2.562  -1.324   2.328  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.699  -3.456   1.606  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.895  -1.167   1.047  0.00  0.00    +0.148 C 
ATOM     22  C   LIG    1        4.630   0.290   0.677  0.00  0.00    +0.033 C 
BRANCH  21  24
ATOM     23  C   LIG    1        5.541  -0.593   3.492  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        5.901  -1.318   2.202  0.00  0.00    +0.024 C 
ENDBRANCH  21  24
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1        0.512   0.680  -3.122  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.687   1.135  -3.625  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1       -1.561   0.264  -4.292  0.00  0.00    +0.084 A 
ATOM     28 CL   LIG    1       -1.183  -1.406  -4.521  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -2.768   0.744  -4.802  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -3.098   2.092  -4.659  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -2.216   2.966  -4.018  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -0.996   2.502  -3.505  0.00  0.00    -0.007 A 
ATOM     33  C   LIG    1       -0.058   3.452  -2.817  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 7