REMARK  Name = BDB037104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.327  -1.255   0.267  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.063  -1.622  -1.053  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.608  -1.225  -1.815  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.365  -1.619   1.206  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.268   0.241  -0.537  0.00  0.00    +0.133 A 
ATOM      6  C   LIG    1        1.509  -0.360   0.488  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1        1.866  -0.131   1.831  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.955   0.677   2.162  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        3.711   1.280   1.155  0.00  0.00    -0.023 A 
ATOM     10  C   LIG    1        3.353   1.061  -0.188  0.00  0.00    +0.051 A 
BRANCH   5  12
ATOM     11  C   LIG    1        2.769   0.452  -2.871  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        1.890   0.013  -1.837  0.00  0.00    -0.494 OA
ENDBRANCH   5  12
BRANCH   9  13
ATOM     13  C   LIG    1        4.888   2.162   1.499  0.00  0.00    +0.178 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.144   1.592   1.029  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.671   1.993  -0.149  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.802   1.288  -0.243  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        8.004   0.445   0.864  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.915   0.666   1.675  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   1   6
BRANCH   2  19
ATOM     19  S   LIG    1       -1.171  -2.615  -1.558  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -0.993  -3.886  -0.891  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.159  -2.525  -3.005  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.628  -1.773  -1.007  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.636  -2.417  -0.290  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -4.775  -1.702   0.102  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -4.887  -0.338  -0.182  0.00  0.00    -0.041 A 
ATOM     26  C   LIG    1       -6.111   0.453   0.193  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1       -5.734   1.838   0.724  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -4.612   2.546  -0.052  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -4.061   1.764  -1.246  0.00  0.00    +0.035 C 
ATOM     30  C   LIG    1       -3.870   0.312  -0.899  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -2.751  -0.409  -1.323  0.00  0.00    +0.036 A 
BRANCH  23  32
ATOM     32  O   LIG    1       -3.611  -3.761  -0.046  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -3.256  -4.021   1.313  0.00  0.00    +0.277 C 
ENDBRANCH  23  32
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7