B89WGF
-OEChem-04022113023D
32 33 0 1 0 0 0 0 0999 V2000
4.2129 -0.7752 1.2305 S 0 0 0 0 0 0 0 0 0 0 0 0
0.5607 0.5693 -1.7984 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1627 0.0769 -0.1974 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7875 2.6853 0.9153 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9271 -0.8213 -1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3242 1.6160 0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1682 1.7232 -0.0037 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6446 0.1251 1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0158 0.7086 -0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3640 -0.8471 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8848 0.3854 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9892 0.1498 -0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4384 -0.6080 0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6473 -1.0790 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0962 -1.8369 0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2007 -2.0723 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8592 -0.5102 -2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4665 -1.8142 -0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4771 1.3181 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7976 2.6019 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2701 2.1263 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7893 1.1658 1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9170 -0.3565 1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8986 -1.7415 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9088 0.0393 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7490 2.8634 0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3035 3.5802 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3477 0.9159 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6035 -0.4644 1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5076 -1.2622 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7527 -2.6086 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7138 -3.0286 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 10 1 0 0 0 0
2 9 2 0 0 0 0
3 5 1 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
4 7 1 0 0 0 0
4 26 1 0 0 0 0
4 27 1 0 0 0 0
5 10 1 0 0 0 0
5 17 1 0 0 0 0
5 18 1 0 0 0 0
6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 19 1 0 0 0 0
6 20 1 0 0 0 0
7 11 1 0 0 0 0
7 21 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 14 1 0 0 0 0
12 28 1 0 0 0 0
13 15 2 0 0 0 0
13 29 1 0 0 0 0
14 16 2 0 0 0 0
14 30 1 0 0 0 0
15 16 1 0 0 0 0
15 31 1 0 0 0 0
16 32 1 0 0 0 0
M END
$$$$