REMARK  Name = BDB048289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.716  -0.737   1.205  0.00  0.00    -0.225 NA
ATOM      2  C   LIG    1       -0.482  -1.037   0.960  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1        0.007  -2.303   1.162  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1       -0.837  -3.369   1.656  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1        1.333  -2.515   0.863  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1        1.944  -3.570   0.969  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        1.951  -1.252   0.374  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        3.237  -1.198   0.000  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1        0.782   0.008   0.350  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.808   0.929  -0.225  0.00  0.00    -0.022 A 
ATOM     11  C   LIG    1       -2.179   0.569   0.982  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1       -2.067   1.514   2.010  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -2.538   2.816   1.839  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -3.143   3.180   0.641  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -3.283   2.242  -0.383  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -4.256  -0.920  -1.117  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -3.016  -0.068  -1.340  0.00  0.00    +0.034 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   8  18
ATOM     18  C   LIG    1        3.950  -0.022  -0.512  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1        4.107   1.133   0.255  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        4.813   2.194  -0.289  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        5.368   2.175  -1.519  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1        5.212   1.043  -2.237  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        4.524  -0.070  -1.782  0.00  0.00    +0.027 A 
ENDBRANCH   8  18
TORSDOF 3