REMARK  Name = BDB037224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.341   1.717  -0.407  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -1.012   2.358   0.307  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.690   0.491  -0.637  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.251  -0.472  -1.137  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.750   0.439  -0.211  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.238  -0.804   0.033  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.524  -0.906   0.427  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.362   0.188   0.620  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.836   1.458   0.354  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.515   1.591  -0.067  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.051  -2.159   0.667  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.147  -3.220   0.367  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.795   0.026   1.045  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.690   0.074  -0.102  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.225   1.252  -0.491  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.983   0.921  -1.540  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.943  -0.457  -1.818  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.101  -0.981  -0.867  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.951   1.991  -0.760  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -3.068   1.929  -2.200  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.296   3.207  -0.048  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.744  -0.121  -0.660  0.00  0.00    +0.153 A 
ATOM     23  C   LIG    1       -3.814   0.664   0.029  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -3.563   0.403   1.387  0.00  0.00    +0.153 A 
ATOM     25  C   LIG    1       -4.195  -0.666   2.028  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -5.115  -1.433   1.327  0.00  0.00    +0.130 A 
ATOM     27  F   LIG    1       -5.739  -2.442   1.947  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -5.409  -1.161  -0.003  0.00  0.00    +0.086 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -4.542  -0.773  -2.862  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.120   0.160  -1.944  0.00  0.00    -0.493 OA
ENDBRANCH  22  30
BRANCH  24  31
ATOM     31  O   LIG    1       -2.646   1.150   2.083  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -3.276   1.910   3.120  0.00  0.00    +0.277 C 
ENDBRANCH  24  31
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8