REMARK  Name = BDB003406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.777   0.638  -0.268  0.00  0.00    -0.128 NA
ATOM      2  C   LIG    1       -0.306   1.343  -0.351  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1       -0.169   2.835  -0.272  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.279   3.679  -0.380  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.126   5.071  -0.310  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.140   5.625  -0.129  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.252   4.794  -0.019  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.628   3.122  -0.575  0.00  0.00    +0.209 C 
ATOM      9  O   LIG    1       -3.619   3.821  -0.747  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1       -2.733   1.652  -0.574  0.00  0.00    +0.097 C 
ATOM     11  C   LIG    1        1.101   3.407  -0.090  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -1.693   0.822  -0.511  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   1  13
ATOM     13  S   LIG    1        0.773  -0.978  -0.342  0.00  0.00    +0.099 S 
ATOM     14  O   LIG    1        0.042  -1.509   0.794  0.00  0.00    -0.146 OA
ATOM     15  O   LIG    1        0.411  -1.380  -1.687  0.00  0.00    -0.146 OA
BRANCH  13  19
ATOM     16  C   LIG    1        5.163  -2.078   0.315  0.00  0.00    -0.048 A 
ATOM     17  C   LIG    1        4.353  -1.704   1.398  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        3.013  -1.368   1.196  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        2.485  -1.396  -0.098  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1        3.277  -1.768  -1.186  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        4.616  -2.103  -0.976  0.00  0.00    +0.005 A 
BRANCH  16  23
ATOM     22  C   LIG    1        7.511  -1.202   0.429  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1        6.614  -2.426   0.535  0.00  0.00    +0.032 C 
ENDBRANCH  16  23
ENDBRANCH  13  19
ENDBRANCH   1  13
BRANCH  10  24
ATOM     24  N   LIG    1       -4.025   1.051  -0.688  0.00  0.00    -0.212 N 
ATOM     25  H   LIG    1       -4.694   1.721  -1.094  0.00  0.00    +0.174 HD
BRANCH  24  26
ATOM     26  S   LIG    1       -4.700   0.690   0.846  0.00  0.00    +0.072 S 
ATOM     27  O   LIG    1       -3.712   0.899   1.884  0.00  0.00    -0.150 OA
ATOM     28  O   LIG    1       -5.987   1.350   0.882  0.00  0.00    -0.150 OA
BRANCH  26  29
ATOM     29  C   LIG    1       -4.980  -1.055   0.682  0.00  0.00    +0.108 A 
ATOM     30  C   LIG    1       -6.205  -1.518   0.193  0.00  0.00    +0.029 A 
ATOM     31  C   LIG    1       -6.422  -2.891   0.081  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -5.425  -3.791   0.462  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.209  -3.323   0.962  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -3.983  -1.952   1.081  0.00  0.00    +0.029 A 
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH  10  24
TORSDOF 6