BR13WD
-OEChem-04012112593D
40 42 0 0 0 0 0 0 0999 V2000
-5.1816 1.1865 -0.2104 S 0 0 0 0 0 0 0 0 0 0 0 0
5.8010 0.7681 -0.2974 F 0 0 0 0 0 0 0 0 0 0 0 0
4.7995 2.4951 -1.1580 F 0 0 0 0 0 0 0 0 0 0 0 0
4.9800 2.3103 1.0066 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.2081 -5.2957 -0.1040 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.7238 -0.1742 -0.4211 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5204 1.4458 0.2809 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3771 0.6054 0.1112 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3148 1.5681 0.0976 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0067 2.0154 0.7374 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8771 -0.6567 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0348 0.9563 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0783 -1.8578 -0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2387 -0.5057 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4500 0.8832 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8360 0.0722 0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4098 2.1851 -0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6344 1.6555 0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1771 0.4233 1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7506 2.5363 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8076 -2.5325 1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5766 -2.3443 -1.2616 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7341 1.6009 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0353 -3.6940 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1958 -3.5057 -1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4666 -4.1806 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9940 2.0397 -1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9724 -1.2885 -0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5537 -0.7988 1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2513 2.8876 -0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8430 -0.2497 1.5795 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0969 3.4974 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2065 -2.1795 2.0846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7778 -1.8294 -2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1633 3.0272 0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1723 -4.2218 2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5870 -3.8845 -2.2181 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9839 1.8841 -2.1418 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1990 3.1009 -1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7192 1.6221 -2.4622 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 10 1 0 0 0 0
1 27 1 0 0 0 0
2 23 1 0 0 0 0
3 23 1 0 0 0 0
4 23 1 0 0 0 0
5 26 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
9 15 2 0 0 0 0
10 18 1 0 0 0 0
10 35 1 0 0 0 0
11 13 1 0 0 0 0
11 14 2 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 21 2 0 0 0 0
13 22 1 0 0 0 0
14 15 1 0 0 0 0
14 28 1 0 0 0 0
15 23 1 0 0 0 0
16 19 1 0 0 0 0
16 29 1 0 0 0 0
17 20 2 0 0 0 0
17 30 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
19 31 1 0 0 0 0
20 32 1 0 0 0 0
21 24 1 0 0 0 0
21 33 1 0 0 0 0
22 25 2 0 0 0 0
22 34 1 0 0 0 0
24 26 2 0 0 0 0
24 36 1 0 0 0 0
25 26 1 0 0 0 0
25 37 1 0 0 0 0
27 38 1 0 0 0 0
27 39 1 0 0 0 0
27 40 1 0 0 0 0
M END
$$$$