REMARK  Name = BDB037197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.274   1.783  -0.325  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.897   2.387   0.396  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.687   0.533  -0.603  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.305  -0.387  -1.117  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.757   0.400  -0.209  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.189  -0.872  -0.014  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.475  -1.047   0.354  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.368  -0.002   0.563  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.900   1.300   0.344  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.579   1.509  -0.046  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        2.945  -2.331   0.546  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        1.978  -3.337   0.255  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.799  -0.244   0.956  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.674  -0.210  -0.207  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.258   0.950  -0.578  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.981   0.610  -1.648  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.870  -0.757  -1.959  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.021  -1.265  -1.004  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.879   2.136  -0.631  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -3.031   2.111  -2.069  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.153   3.350   0.114  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.761   0.110  -0.539  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.779   0.829   0.150  0.00  0.00    +0.193 A 
ATOM     24  C   LIG    1       -3.480   0.496   1.484  0.00  0.00    +0.168 A 
ATOM     25  C   LIG    1       -4.112  -0.604   2.083  0.00  0.00    +0.085 A 
ATOM     26 CL   LIG    1       -3.703  -1.138   3.674  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1       -5.091  -1.316   1.390  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -5.431  -0.945   0.091  0.00  0.00    +0.049 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -4.686  -0.444  -2.776  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.177   0.469  -1.790  0.00  0.00    -0.493 OA
ENDBRANCH  22  30
BRANCH  24  31
ATOM     31  O   LIG    1       -2.526   1.207   2.174  0.00  0.00    -0.492 OA
ATOM     32  C   LIG    1       -3.139   2.163   3.049  0.00  0.00    +0.277 C 
ENDBRANCH  24  31
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8