B1WUP6
-OEChem-04022111333D
41 45 0 0 0 0 0 0 0999 V2000
1.2354 -1.0600 0.7483 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0340 0.9053 -0.7605 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4661 -0.6042 0.0453 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3356 0.8853 1.8290 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4711 0.0721 0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7869 -0.5261 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1873 0.1020 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0658 -0.2614 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1819 0.9566 1.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5912 -0.9113 0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3960 0.9906 -0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5952 0.2142 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6761 -1.3753 -1.4512 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2390 0.6239 1.3486 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0324 1.2135 1.9601 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2019 -0.8314 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3701 -1.8321 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9777 1.9931 -1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8076 -1.9421 -2.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3709 -0.7079 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1713 1.2373 -0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0693 -1.6699 -1.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7593 -1.7261 1.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3648 2.1191 -1.5811 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3851 -0.0026 -0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4024 0.7569 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2379 1.3806 0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0340 1.4201 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3012 -1.6013 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1622 1.8608 2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9026 -2.6290 1.9647 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3578 2.6818 -2.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7024 -2.5974 -2.8977 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4568 -0.6463 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2520 1.3502 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9376 -2.1303 -1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3684 -2.4387 1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8203 2.9032 -2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8614 0.6700 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8676 -0.7916 -1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9789 1.9340 0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 10 1 0 0 0 0
2 5 1 0 0 0 0
2 11 1 0 0 0 0
3 16 1 0 0 0 0
3 25 1 0 0 0 0
4 14 2 0 0 0 0
5 6 1 0 0 0 0
5 9 1 0 0 0 0
6 8 2 0 0 0 0
6 13 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
7 12 2 0 0 0 0
8 14 1 0 0 0 0
8 16 1 0 0 0 0
9 15 2 0 0 0 0
9 28 1 0 0 0 0
10 17 2 0 0 0 0
11 18 2 0 0 0 0
12 20 1 0 0 0 0
12 21 1 0 0 0 0
13 19 2 0 0 0 0
13 29 1 0 0 0 0
14 15 1 0 0 0 0
15 30 1 0 0 0 0
16 22 2 0 0 0 0
17 23 1 0 0 0 0
17 31 1 0 0 0 0
18 24 1 0 0 0 0
18 32 1 0 0 0 0
19 22 1 0 0 0 0
19 33 1 0 0 0 0
20 23 2 0 0 0 0
20 34 1 0 0 0 0
21 24 2 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
24 38 1 0 0 0 0
25 26 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
26 27 3 0 0 0 0
27 41 1 0 0 0 0
M END
$$$$