BD3FH7
-OEChem-04012112072D
47 50 0 1 0 0 0 0 0999 V2000
9.5141 2.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8114 -2.9284 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
5.5435 -2.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6755 -2.4250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
8.2572 0.6731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2572 1.6731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3912 0.1731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5251 0.6731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3912 2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2034 0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5251 1.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4072 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2034 1.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7870 1.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6151 0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2572 2.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5092 -1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6071 -0.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6883 0.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6717 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7404 0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3471 -0.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1305 -0.2462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2612 1.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7897 2.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9926 2.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9524 -0.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7408 0.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3131 2.2557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9145 1.5655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6252 -1.4488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0164 -0.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2479 0.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2479 1.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8772 2.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2572 3.2931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6372 2.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1119 -1.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9101 -1.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7002 1.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2071 0.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3121 -0.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.5638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6879 -1.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 23 1 0 0 0 0
2 24 1 0 0 0 0
3 5 1 0 0 0 0
4 5 2 0 0 0 0
5 21 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 11 1 0 0 0 0
6 25 1 6 0 0 0
7 10 1 0 0 0 0
7 14 1 0 0 0 0
7 17 1 1 0 0 0
8 9 1 0 0 0 0
8 13 1 0 0 0 0
8 26 1 1 0 0 0
9 12 1 0 0 0 0
9 16 1 0 0 0 0
9 27 1 6 0 0 0
10 12 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 15 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 18 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 19 2 0 0 0 0
16 20 1 0 0 0 0
17 38 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 19 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
19 21 1 0 0 0 0
20 22 2 0 0 0 0
20 43 1 0 0 0 0
21 23 2 0 0 0 0
22 23 1 0 0 0 0
22 44 1 0 0 0 0
24 45 1 0 0 0 0
24 46 1 0 0 0 0
24 47 1 0 0 0 0
M CHG 2 3 -1 5 1
M END
$$$$