REMARK  Name = BDB008940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.450   1.058  -1.345  0.00  0.00    +0.071 A 
ATOM      2  C   LIG    1       -1.294   0.213  -0.442  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -0.993   0.102   1.027  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -2.138  -0.515   1.837  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -2.718  -1.730   1.125  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.248  -1.353  -0.260  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.325  -0.435  -1.013  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -2.598  -0.271  -2.463  0.00  0.00    +0.268 A 
ATOM      9  O   LIG    1       -3.543  -0.828  -3.012  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -1.734   0.540  -3.147  0.00  0.00    -0.243 N 
ATOM     11  H   LIG    1       -1.906   0.666  -4.138  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1       -0.668   1.199  -2.620  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.759   1.792  -0.786  0.00  0.00    +0.113 C 
BRANCH  13  16
ATOM     14  C   LIG    1        3.407  -0.210   0.774  0.00  0.00    +0.188 A 
ATOM     15  N   LIG    1        2.350   0.610   0.630  0.00  0.00    -0.226 NA
ATOM     16  C   LIG    1        1.949   0.883  -0.630  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1        2.586   0.355  -1.736  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1        3.653  -0.473  -1.480  0.00  0.00    +0.115 A 
ATOM     19  N   LIG    1        4.080  -0.771  -0.242  0.00  0.00    -0.230 NA
BRANCH  14  21
ATOM     20  C   LIG    1        3.028   0.585   3.381  0.00  0.00    +0.093 C 
ATOM     21  S   LIG    1        3.959  -0.624   2.411  0.00  0.00    -0.089 S 
ENDBRANCH  14  21
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 3