B72XWH
-OEChem-04042103303D
24 25 0 0 0 0 0 0 0999 V2000
-1.4345 -0.9089 -1.0737 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.0537 1.1099 2.3489 S 0 0 0 0 0 0 0 0 0 0 0 0
2.1293 2.1842 -1.6542 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8680 -1.0670 -2.0754 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8451 2.5060 0.1935 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5812 -0.0342 -0.0054 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1843 -0.4022 0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0042 0.4341 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1278 0.0332 1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2962 -0.1300 0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6139 -1.6875 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2539 -0.0147 -0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6342 0.3160 0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8636 -2.1364 0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6836 -1.3001 -0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1745 -0.6865 -1.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5924 1.7841 -0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1044 0.5271 2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9883 -2.3529 1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9235 0.6157 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1986 -3.1369 0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6579 -1.6489 -0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5608 0.1875 0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8480 3.0928 -1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 16 1 0 0 0 0
2 13 2 0 0 0 0
3 17 1 0 0 0 0
3 24 1 0 0 0 0
4 16 2 0 0 0 0
5 17 2 0 0 0 0
6 13 1 0 0 0 0
6 16 1 0 0 0 0
6 23 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 11 2 0 0 0 0
8 12 2 0 0 0 0
8 17 1 0 0 0 0
9 10 2 0 0 0 0
9 18 1 0 0 0 0
10 13 1 0 0 0 0
11 14 1 0 0 0 0
11 19 1 0 0 0 0
12 15 1 0 0 0 0
12 20 1 0 0 0 0
14 15 2 0 0 0 0
14 21 1 0 0 0 0
15 22 1 0 0 0 0
M END
$$$$