REMARK  Name = BDB037110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.115   1.347  -0.474  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -0.664   1.052  -1.726  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -0.215   0.452  -2.406  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.609   2.141   0.311  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.171   0.534   1.187  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.518  -0.703   0.622  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        2.646  -1.274  -0.322  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.467  -0.623  -0.702  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.126   0.603  -0.121  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        1.974   1.167   0.840  0.00  0.00    +0.059 A 
BRANCH   5  11
ATOM     11  O   LIG    1        3.983   1.060   2.157  0.00  0.00    -0.492 OA
BRANCH  11  13
ATOM     12  C   LIG    1        5.749   2.258   0.989  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1        4.496   2.363   1.842  0.00  0.00    +0.225 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   6  14
ATOM     14  C   LIG    1        4.771  -1.430   1.057  0.00  0.00    +0.182 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.582  -1.886  -0.069  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        6.268  -1.000  -0.822  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        6.900  -1.763  -1.716  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        6.631  -3.132  -1.538  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        5.781  -3.183  -0.459  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   6  14
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  S   LIG    1       -2.019   1.801  -2.356  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1       -1.756   3.222  -2.352  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.281   1.092  -3.593  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.303   1.350  -1.223  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -4.177   2.287  -0.686  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1       -5.172   1.864   0.195  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -5.269   0.518   0.562  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -4.391  -0.452   0.043  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -3.415  -0.009  -0.866  0.00  0.00    +0.036 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -4.530  -1.925   0.465  0.00  0.00    -0.013 C 
ATOM     30  C   LIG    1       -3.452  -2.853  -0.142  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -4.416  -2.043   2.000  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -5.905  -2.462   0.015  0.00  0.00    +0.015 C 
ENDBRANCH  27  29
BRANCH  24  33
ATOM     33  O   LIG    1       -4.167   3.596  -1.072  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -3.597   4.422  -0.053  0.00  0.00    +0.277 C 
ENDBRANCH  24  33
ENDBRANCH  20  23
ENDBRANCH   2  20
TORSDOF 9