REMARK  Name = BDB037120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.473   1.292  -1.086  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        1.036   0.228  -1.798  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.591  -0.677  -1.883  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        1.001   2.385  -0.966  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.421  -0.509   0.610  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -3.345   0.546   0.726  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -2.999   1.823   0.249  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.752   2.053  -0.327  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.837   1.004  -0.448  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.169  -0.274   0.028  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -1.945  -2.823   0.989  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -2.836  -1.719   1.100  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -4.716   0.337   1.327  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -5.716   0.106   0.294  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -6.458   1.135  -0.173  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.262   0.561  -1.071  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -7.053  -0.827  -1.172  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.051  -1.094  -0.270  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        2.553   0.251  -2.477  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        2.812  -1.101  -2.932  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.630   1.359  -3.404  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.623   0.563  -1.102  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1        3.663  -0.319  -0.021  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        4.495  -0.041   1.068  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        5.315   1.102   1.070  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1        5.285   1.962  -0.038  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        4.439   1.700  -1.117  0.00  0.00    +0.033 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.226   1.376   2.242  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1        6.641   2.671   2.317  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        7.358   0.621   2.198  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        5.640   1.101   3.440  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
BRANCH  23  32
ATOM     32  O   LIG    1        2.831  -1.407   0.028  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1        3.576  -2.625  -0.066  0.00  0.00    +0.277 C 
ENDBRANCH  23  32
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 8