BWOH67
-OEChem-04012113243D
44 47 0 0 0 0 0 0 0999 V2000
-4.8316 -1.9085 -0.0006 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.0491 5.0189 -0.0026 F 0 0 0 0 0 0 0 0 0 0 0 0
-5.1455 -2.5670 -1.2607 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1722 -2.5573 1.2583 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0108 -0.6215 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4689 0.6927 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4068 -0.9338 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3042 -1.4336 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7700 -0.0973 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9213 -1.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8394 0.9546 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5523 1.8183 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1266 -1.5329 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0832 -1.0840 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0831 -1.0817 -1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2350 -2.4853 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1528 0.1480 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4453 -1.3842 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4453 -1.3816 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1152 2.3544 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1158 2.3573 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6053 -2.2232 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0634 -0.9090 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6336 -0.3211 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7643 3.4370 -1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7639 3.4399 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2040 3.9798 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5595 -2.7066 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1950 1.9846 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.9700 2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 -0.9656 -2.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8998 -3.5204 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5336 1.1673 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9576 -1.4912 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9568 -1.4858 -2.1607 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4487 1.9434 -2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4498 1.9485 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3146 -3.0457 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1304 -0.7056 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3439 0.2225 0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3375 0.2273 -0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7131 -0.4867 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1073 3.8574 -2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1065 3.8625 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 13 1 0 0 0 0
1 24 1 0 0 0 0
2 27 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 10 2 0 0 0 0
6 11 2 0 0 0 0
6 12 1 0 0 0 0
7 14 2 0 0 0 0
7 15 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 16 2 0 0 0 0
9 11 1 0 0 0 0
9 17 2 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
12 20 2 0 0 0 0
12 21 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 18 1 0 0 0 0
14 30 1 0 0 0 0
15 19 2 0 0 0 0
15 31 1 0 0 0 0
16 22 1 0 0 0 0
16 32 1 0 0 0 0
17 23 1 0 0 0 0
17 33 1 0 0 0 0
18 34 1 0 0 0 0
19 35 1 0 0 0 0
20 25 1 0 0 0 0
20 36 1 0 0 0 0
21 26 2 0 0 0 0
21 37 1 0 0 0 0
22 23 2 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
25 27 2 0 0 0 0
25 43 1 0 0 0 0
26 27 1 0 0 0 0
26 44 1 0 0 0 0
M END
$$$$