REMARK  Name = BDB033753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.745   0.249  -0.543  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        0.339   1.092  -0.924  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        4.925  -0.078  -0.977  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1        4.264   1.097  -1.331  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.876   1.175  -1.179  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.127   0.090  -0.690  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        2.818  -1.079  -0.348  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        4.207  -1.173  -0.497  0.00  0.00    +0.030 A 
BRANCH   3   9
ATOM      9  S   LIG    1        6.685  -0.204  -1.169  0.00  0.00    +0.058 S 
ATOM     10  O   LIG    1        7.139   0.930  -1.942  0.00  0.00    -0.153 OA
ATOM     11  O   LIG    1        6.992  -1.564  -1.553  0.00  0.00    -0.153 OA
BRANCH   9  13
ATOM     12  C   LIG    1        6.944   1.200   1.141  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        7.234  -0.017   0.402  0.00  0.00    -0.193 NA
ATOM     14  H   LIG    1        7.388  -0.887   0.906  0.00  0.00    +0.148 HD
ENDBRANCH   9  13
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1       -0.278  -0.561  -0.061  0.00  0.00    +0.221 A 
ATOM     16  N   LIG    1       -1.513  -0.045  -0.183  0.00  0.00    -0.198 NA
ATOM     17  C   LIG    1       -2.576  -0.748   0.270  0.00  0.00    +0.144 A 
ATOM     18  C   LIG    1       -2.403  -2.002   0.836  0.00  0.00    +0.110 A 
ATOM     19  C   LIG    1       -1.107  -2.454   0.922  0.00  0.00    +0.136 A 
ATOM     20  N   LIG    1       -0.040  -1.754   0.494  0.00  0.00    -0.221 NA
BRANCH  17  21
ATOM     21  N   LIG    1       -3.860  -0.188   0.133  0.00  0.00    -0.314 N 
ATOM     22  C   LIG    1       -3.997   0.763  -0.986  0.00  0.00    +0.106 C 
ATOM     23  C   LIG    1       -5.334   1.516  -0.917  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -6.406   0.723  -0.179  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -5.958   0.363   1.241  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -4.435   0.298   1.392  0.00  0.00    +0.106 C 
ENDBRANCH  17  21
BRANCH  18  27
ATOM     27  C   LIG    1       -3.475  -2.828   1.280  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1       -4.316  -3.524   1.676  0.00  0.00    -0.191 NA
ENDBRANCH  18  27
ENDBRANCH   1  15
TORSDOF 6