REMARK  Name = BDB022095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.674  -0.972  -1.852  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.706  -0.065  -1.019  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -1.810   1.010  -1.023  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.277   1.581   0.217  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        0.039   0.896   0.589  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1        1.036   0.963  -0.581  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1        0.417   0.417  -1.878  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -0.907   1.122  -2.165  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.354   0.310  -0.248  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        2.484  -1.375   0.072  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.177  -1.204   0.323  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.528   0.134   0.147  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        5.878   0.508   0.306  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        6.834  -0.459   0.634  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.460  -1.789   0.806  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.128  -2.184   0.654  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        3.482   0.984  -0.176  0.00  0.00    -0.244 NA
ENDBRANCH   6   9
BRANCH   2  18
ATOM     18  C   LIG    1       -3.752  -0.152   0.029  0.00  0.00    +0.078 A 
ATOM     19  C   LIG    1       -4.108  -1.403   0.549  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1       -5.082  -1.504   1.540  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -5.737  -0.356   1.989  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.425   0.889   1.441  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.440   0.992   0.455  0.00  0.00    +0.017 A 
BRANCH  19  24
ATOM     24  O   LIG    1       -3.543  -2.573   0.118  0.00  0.00    -0.506 OA
ATOM     25  H   LIG    1       -3.114  -2.389  -0.747  0.00  0.00    +0.292 HD
ENDBRANCH  19  24
ENDBRANCH   2  18
TORSDOF 3