REMARK  Name = BDB039757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.119  -0.499   0.014  0.00  0.00    +0.192 A 
ATOM      2  O   LIG    1       -0.006  -0.351  -0.758  0.00  0.00    -0.450 OA
ATOM      3  C   LIG    1       -1.077  -0.280   0.076  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -0.667  -0.381   1.392  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -1.644  -0.333   2.392  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.991  -0.178   2.007  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -3.409  -0.060   0.663  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -2.407  -0.130  -0.325  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        0.746  -0.523   1.350  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1        3.496  -0.577   0.194  0.00  0.00    -0.183 N 
ATOM     11  H   LIG    1        3.370  -0.536   1.198  0.00  0.00    +0.177 HD
ATOM     12  C   LIG    1        2.393  -0.595  -0.673  0.00  0.00    +0.298 C 
ATOM     13  O   LIG    1        2.518  -0.645  -1.887  0.00  0.00    -0.265 OA
BRANCH  10  14
ATOM     14  S   LIG    1        5.039  -0.999  -0.216  0.00  0.00    +0.045 S 
ATOM     15  O   LIG    1        5.685  -1.221   1.063  0.00  0.00    -0.155 OA
ATOM     16  O   LIG    1        5.020  -2.046  -1.209  0.00  0.00    -0.155 OA
BRANCH  14  18
ATOM     17  C   LIG    1        5.133   0.952  -2.200  0.00  0.00    +0.030 C 
ATOM     18  C   LIG    1        5.753   0.492  -0.901  0.00  0.00    +0.185 C 
ENDBRANCH  14  18
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   7  19
ATOM     19  N   LIG    1       -4.766   0.075   0.331  0.00  0.00    -0.336 N 
ATOM     20  C   LIG    1       -5.141   0.312  -1.062  0.00  0.00    +0.129 C 
ATOM     21  C   LIG    1       -5.681   0.623   1.332  0.00  0.00    +0.129 C 
ENDBRANCH   7  19
TORSDOF 4