REMARK  Name = BDB028776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.249  -0.019  -0.296  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -2.018   1.055  -0.777  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.227   1.655  -1.755  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -1.690   2.782  -2.454  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.954   3.295  -2.158  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.742   2.694  -1.182  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -0.042   1.007  -1.893  0.00  0.00    -0.222 NA
ATOM      8  C   LIG    1       -3.293   1.569  -0.477  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.075   0.020  -1.031  0.00  0.00    +0.171 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.700  -2.050   1.200  0.00  0.00    +0.034 C 
ATOM     11  C   LIG    1       -1.690  -0.933   0.787  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -2.974  -1.679   0.354  0.00  0.00    +0.034 C 
ATOM     13  C   LIG    1       -1.943  -0.129   2.086  0.00  0.00    +0.034 C 
ENDBRANCH   1  11
BRANCH   9  14
ATOM     14  S   LIG    1        1.278  -1.062  -0.944  0.00  0.00    -0.075 S 
BRANCH  14  15
ATOM     15  C   LIG    1        2.595   0.138  -0.525  0.00  0.00    +0.141 C 
ATOM     16  C   LIG    1        2.620   0.309   0.988  0.00  0.00    +0.233 C 
ATOM     17  O   LIG    1        1.777   0.955   1.609  0.00  0.00    -0.274 OA
ATOM     18  N   LIG    1        3.604  -0.363   1.676  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        3.579  -0.265   2.682  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        4.483  -1.300   1.197  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1        5.188  -1.952   1.962  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        4.486  -1.531  -0.294  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1        3.959  -0.317  -1.043  0.00  0.00    +0.033 C 
ENDBRANCH  14  15
ENDBRANCH   9  14
TORSDOF 3