REMARK  Name = BDB061006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.773   0.269  -0.352  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -0.369   0.126  -0.623  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        0.542   1.188  -0.343  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        1.924   0.998  -0.645  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        2.390  -0.188  -1.229  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        1.509  -1.225  -1.480  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        0.008   2.373   0.212  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.342   2.495   0.519  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        0.160  -1.070  -1.169  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -2.214   1.449   0.252  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4  11
ATOM     11  S   LIG    1        3.130   2.259  -0.273  0.00  0.00    +0.059 S 
ATOM     12  O   LIG    1        3.183   3.143  -1.415  0.00  0.00    -0.153 OA
ATOM     13  O   LIG    1        2.916   2.750   1.071  0.00  0.00    -0.153 OA
BRANCH  11  14
ATOM     14  N   LIG    1        4.600   1.450  -0.252  0.00  0.00    -0.186 NA
ATOM     15  H   LIG    1        5.314   1.907  -0.817  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        5.018   0.839   1.008  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.150  -0.130   0.775  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1        5.885  -1.478   0.493  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        6.931  -2.370   0.251  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.251  -1.922   0.280  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        8.526  -0.582   0.549  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        7.481   0.311   0.792  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   4  11
BRANCH   1  23
ATOM     23  N   LIG    1       -2.640  -0.789  -0.651  0.00  0.00    -0.340 N 
ATOM     24  H   LIG    1       -2.426  -1.157  -1.576  0.00  0.00    +0.146 HD
BRANCH  23  29
ATOM     25  C   LIG    1       -7.883  -0.758  -0.025  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1       -6.727  -0.156   0.634  0.00  0.00    -0.305 NA
ATOM     27  C   LIG    1       -5.992   0.757  -0.244  0.00  0.00    +0.086 C 
ATOM     28  C   LIG    1       -4.949   0.085  -1.138  0.00  0.00    +0.037 C 
ATOM     29  C   LIG    1       -4.074  -0.900  -0.359  0.00  0.00    +0.073 C 
ATOM     30  C   LIG    1       -4.391  -0.960   1.134  0.00  0.00    +0.037 C 
ATOM     31  C   LIG    1       -5.897  -1.166   1.305  0.00  0.00    +0.086 C 
ENDBRANCH  23  29
ENDBRANCH   1  23
TORSDOF 6