BP4K9O
-OEChem-04012113543D
42 44 0 1 0 0 0 0 0999 V2000
3.0408 2.0848 -2.3703 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.5534 -2.9004 -1.3419 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2886 -3.9280 0.9509 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3863 0.5777 0.0546 N 0 0 3 0 0 0 0 0 0 0 0 0
0.1492 -1.1514 -0.6820 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0842 2.6709 -1.4607 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3579 -3.4086 -0.2020 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3786 1.9263 -0.4193 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1247 1.2664 -1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0107 2.8498 0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2006 2.0893 1.8003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9766 1.4194 1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0283 -0.7356 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8418 -1.6604 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0257 -0.1381 -1.2703 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5262 -2.5032 -0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5340 -3.1011 0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0557 0.3518 -0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9917 1.3168 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0414 -0.1955 0.9901 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9284 1.7417 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9782 0.2294 1.9322 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9217 1.1980 1.5898 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0510 1.1440 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4091 0.5617 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4734 2.0204 -1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9175 3.2580 1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4215 3.7035 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8857 2.7750 2.5948 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8390 1.3275 2.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2672 2.1791 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 0.8302 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2877 2.0534 -2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4812 3.4057 -1.8293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7616 -1.3796 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4365 0.6889 -1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5491 -0.5984 -2.1178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1096 -4.3921 -0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3501 -0.9566 1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6714 2.4953 0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9752 -0.1945 2.9322 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6513 1.5284 2.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
2 16 2 0 0 0 0
3 17 2 0 0 0 0
4 9 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
5 13 1 0 0 0 0
5 15 1 0 0 0 0
5 16 1 0 0 0 0
6 8 1 0 0 0 0
6 33 1 0 0 0 0
6 34 1 0 0 0 0
7 16 1 0 0 0 0
7 17 1 0 0 0 0
7 38 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 24 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 11 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 12 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 14 2 0 0 0 0
14 17 1 0 0 0 0
14 35 1 0 0 0 0
15 18 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
18 19 1 0 0 0 0
18 20 2 0 0 0 0
19 21 2 0 0 0 0
20 22 1 0 0 0 0
20 39 1 0 0 0 0
21 23 1 0 0 0 0
21 40 1 0 0 0 0
22 23 2 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
M END
$$$$