REMARK  Name = BDB037187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.093  -1.389  -0.694  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.874  -0.813   0.119  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.062  -1.614  -1.618  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -0.194  -2.171  -2.695  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.257  -1.085  -1.144  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        1.254  -0.443   0.062  0.00  0.00    -0.241 NA
ATOM      7  C   LIG    1        2.439   0.061   0.520  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        3.634  -0.059  -0.207  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.586  -0.734  -1.441  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        2.389  -1.252  -1.920  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  C   LIG    1        2.397   0.751   1.869  0.00  0.00    +0.390 C 
ATOM     12  F   LIG    1        2.808   2.050   1.807  0.00  0.00    -0.202 F 
ATOM     13  F   LIG    1        3.208   0.152   2.788  0.00  0.00    -0.202 F 
ENDBRANCH   7  11
BRANCH   8  14
ATOM     14  C   LIG    1        4.957   0.497   0.275  0.00  0.00    +0.180 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.406   1.608  -0.556  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        6.224   1.378  -1.606  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        6.437   2.594  -2.114  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        5.770   3.600  -1.393  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        5.116   2.933  -0.385  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -2.690  -1.732  -0.972  0.00  0.00    +0.082 S 
ATOM     21  O   LIG    1       -3.167  -0.860  -2.026  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.795  -3.172  -1.058  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -3.082  -0.039   1.182  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.516  -1.186   0.503  0.00  0.00    +0.191 A 
ATOM     25  C   LIG    1       -4.630  -1.878   0.990  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -5.248  -1.474   2.180  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -4.786  -0.356   2.870  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -3.703   0.362   2.371  0.00  0.00    +0.048 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -2.421   1.886   0.105  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -1.996   0.682   0.754  0.00  0.00    -0.493 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -5.136  -2.996   0.388  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -6.160  -2.653  -0.547  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 8