BW5EB0
-OEChem-04022106103D
27 28 0 0 0 0 0 0 0999 V2000
4.1731 0.4150 -0.3904 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6158 1.4171 -0.0551 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.0694 -2.2200 0.1565 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2652 -0.4580 0.3588 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 -1.3248 -0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 0.2192 1.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9681 -0.4966 -1.4082 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0057 1.2277 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0716 -0.2292 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9212 -1.2695 0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3352 1.2624 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3854 -1.2026 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0102 0.1096 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0823 2.5497 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3527 -1.8863 -1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5771 -2.0732 0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6186 -0.5241 1.9673 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4100 0.7341 2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5215 -1.1503 -2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4126 0.2250 -2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 1.9968 0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5871 1.7334 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5383 -2.2741 0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0915 0.0955 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9221 3.2475 0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1629 2.3923 -0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7450 3.0270 -1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 9 1 0 0 0 0
2 11 1 0 0 0 0
3 12 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 9 1 0 0 0 0
5 7 1 0 0 0 0
5 15 1 0 0 0 0
5 16 1 0 0 0 0
6 8 1 0 0 0 0
6 17 1 0 0 0 0
6 18 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
9 10 2 0 0 0 0
10 12 1 0 0 0 0
10 23 1 0 0 0 0
11 13 2 0 0 0 0
11 14 1 0 0 0 0
12 13 1 0 0 0 0
13 24 1 0 0 0 0
14 25 1 0 0 0 0
14 26 1 0 0 0 0
14 27 1 0 0 0 0
M END
$$$$