REMARK  Name = BDB015710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.485   1.008  -0.330  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.217   0.062   0.572  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.073  -0.064   0.896  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.080   0.651   0.368  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.759   1.569  -0.564  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.543   1.794  -0.949  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.884   2.339  -1.150  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.928   2.658  -0.360  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.018   3.381  -0.823  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -5.092   3.683   0.109  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.114   3.824  -2.139  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.043   4.478  -2.602  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.981   3.450  -3.025  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.944   2.750  -2.546  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.849   1.101  -0.683  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        3.184   2.022  -0.960  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.390  -0.051  -1.777  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.271  -0.425  -2.618  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        4.575   0.530  -2.374  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.896  -1.462  -0.729  0.00  0.00    +0.151 C 
BRANCH  20  22
ATOM     21  C   LIG    1        4.272  -4.002  -0.897  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        4.066  -2.693  -1.648  0.00  0.00    +0.024 C 
ENDBRANCH  20  22
BRANCH  20  23
ATOM     23  C   LIG    1        5.184  -1.176   0.066  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        5.061  -0.091   1.125  0.00  0.00    +0.006 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  25
ATOM     25  O   LIG    1       -0.342  -1.043   1.847  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.655  -1.151   2.244  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1       -2.166  -0.321   3.252  0.00  0.00    +0.084 A 
ATOM     28 CL   LIG    1       -1.191   0.879   4.022  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -3.494  -0.456   3.659  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -4.307  -1.425   3.071  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -3.792  -2.267   2.083  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.457  -2.152   1.669  0.00  0.00    -0.007 A 
ATOM     33  C   LIG    1       -1.923  -3.057   0.596  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8