REMARK  Name = BDB015630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.716  -1.106   0.013  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1       -1.835   0.206   0.122  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -0.700   0.868  -0.098  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1        0.452   0.294  -0.437  0.00  0.00    -0.175 NA
ATOM      5  C   LIG    1        0.408  -1.030  -0.573  0.00  0.00    +0.328 A 
ATOM      6  N   LIG    1       -0.659  -1.790  -0.377  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.699   2.351   0.031  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -1.819   2.998   0.413  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -1.875   4.379   0.549  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.129   4.984   0.969  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.777   5.199   0.301  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -0.767   6.422   0.405  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        0.463   4.499  -0.119  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        0.481   3.166  -0.240  0.00  0.00    +0.018 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  N   LIG    1       -2.926  -1.791   0.147  0.00  0.00    -0.188 N 
ATOM     16  H   LIG    1       -3.687  -1.161   0.384  0.00  0.00    +0.176 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -2.899  -3.101   1.182  0.00  0.00    +0.045 S 
ATOM     18  O   LIG    1       -1.873  -2.912   2.184  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -4.282  -3.290   1.574  0.00  0.00    -0.155 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -2.497  -5.781   0.821  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1       -2.455  -4.452   0.091  0.00  0.00    +0.185 C 
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   5  22
ATOM     22  O   LIG    1        1.556  -1.726  -0.940  0.00  0.00    -0.422 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.663  -0.958  -1.221  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1        2.841  -0.407  -2.498  0.00  0.00    +0.084 A 
ATOM     25 CL   LIG    1        1.687  -0.652  -3.759  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1        3.975   0.357  -2.774  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        4.935   0.561  -1.783  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.769  -0.007  -0.518  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        3.641  -0.787  -0.226  0.00  0.00    -0.007 A 
ATOM     30  C   LIG    1        3.475  -1.384   1.142  0.00  0.00    +0.047 C 
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6