REMARK  Name = BDB028637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.688  -0.195  -1.197  0.00  0.00    +0.188 A 
ATOM      2  C   LIG    1        0.700  -0.461  -1.065  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1        0.760  -1.404  -0.056  0.00  0.00    +0.169 A 
ATOM      4  C   LIG    1        1.937  -1.973   0.427  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.136  -1.542  -0.169  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1        3.106  -0.582  -1.198  0.00  0.00    +0.006 A 
ATOM      7  O   LIG    1       -0.497  -1.675   0.382  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.900  -0.031  -1.658  0.00  0.00    +0.015 A 
ATOM      9  N   LIG    1       -1.407  -0.911  -0.327  0.00  0.00    -0.061 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.229   0.724  -2.084  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.633   1.284  -2.685  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.864   0.866  -2.410  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -2.964   1.979  -3.333  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.347  -0.448  -2.770  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.739   0.881  -0.365  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -3.560   1.422  -0.879  0.00  0.00    +0.151 A 
ATOM     17  C   LIG    1       -2.883   2.429  -0.173  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1       -3.388   2.876   1.045  0.00  0.00    +0.043 A 
ATOM     19 CL   LIG    1       -2.551   4.102   1.915  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -4.567   2.344   1.561  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -5.248   1.355   0.850  0.00  0.00    +0.049 A 
BRANCH  15  23
ATOM     22  C   LIG    1       -5.377  -1.331  -0.494  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -5.480  -0.025  -1.067  0.00  0.00    -0.493 OA
ENDBRANCH  15  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  24
ATOM     24  C   LIG    1        4.460  -2.105   0.300  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.229  -1.116   1.041  0.00  0.00    -0.267 N 
ATOM     26  N   LIG    1        6.208  -0.418   0.426  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        6.697   0.361   1.394  0.00  0.00    +0.134 A 
ATOM     28  C   LIG    1        6.047   0.160   2.625  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        5.104  -0.807   2.368  0.00  0.00    +0.108 A 
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 6