REMARK  Name = BDB029482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.828   0.152  -0.387  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        3.883  -0.794  -0.817  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        2.546  -0.637  -0.413  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        2.137   0.420   0.394  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1        0.792   0.439   0.709  0.00  0.00    -0.225 NA
ATOM      6  C   LIG    1        0.158  -0.570   0.151  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1        3.097   1.361   0.818  0.00  0.00    +0.030 A 
ATOM      8  S   LIG    1        1.182  -1.617  -0.770  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        4.434   1.221   0.424  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1       -1.176  -0.782   0.312  0.00  0.00    -0.309 N 
ATOM     11  C   LIG    1       -2.010   0.297   0.842  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -3.456  -0.087   0.465  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1       -3.954   0.701  -0.743  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -3.227   1.312  -1.519  0.00  0.00    -0.275 OA
ATOM     15  N   LIG    1       -5.311   0.665  -0.966  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -5.622   1.193  -1.771  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -6.284   0.455  -0.022  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.449   0.779  -0.230  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.848  -0.219   1.256  0.00  0.00    +0.097 C 
ATOM     20  C   LIG    1       -4.425   0.170   1.626  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -3.349  -1.577   0.093  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1       -1.948  -1.701  -0.500  0.00  0.00    +0.108 C 
ENDBRANCH   6  10
BRANCH   1  23
ATOM     23  C   LIG    1        6.239  -0.034  -0.827  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        6.607  -0.962  -1.530  0.00  0.00    -0.245 OA
BRANCH  23  26
ATOM     25  C   LIG    1        8.400   0.844  -0.726  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        7.029   0.956  -0.342  0.00  0.00    -0.464 OA
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 3