B7HCQ9
-OEChem-04012116422D
61 66 0 1 0 0 0 0 0999 V2000
8.1256 -0.5050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
8.8411 0.9558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8449 3.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6079 0.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6079 -0.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1256 -0.5050 0.0000 N 0 3 2 0 0 0 0 0 0 0 0 0
7.4575 2.0698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2596 0.9950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1256 0.4950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4688 1.9668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3935 0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8626 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1666 2.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2596 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2440 1.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3935 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6256 -1.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3086 3.1046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7664 2.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4996 1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9575 2.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4996 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1256 -2.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5935 0.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5935 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6256 -3.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3802 4.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6256 -3.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1256 -3.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1256 -3.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6256 -4.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6256 -4.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9025 0.1502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9384 2.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7804 3.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1757 3.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8610 -1.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6581 -1.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8579 0.7121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1005 -1.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1005 -0.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6736 3.6058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1481 2.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5068 1.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4944 2.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2675 3.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4205 3.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5068 -1.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6506 -1.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6506 -2.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9039 4.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7122 5.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8566 5.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 0.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 -0.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9356 -2.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5056 -3.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7456 -3.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3156 -5.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9356 -5.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6 1 1 1 0 0 0
2 12 2 0 0 0 0
18 3 1 1 0 0 0
3 27 1 0 0 0 0
4 24 1 0 0 0 0
4 28 1 0 0 0 0
5 25 1 0 0 0 0
5 28 1 0 0 0 0
6 9 1 0 0 0 0
6 14 1 0 0 0 0
6 17 1 0 0 0 0
7 10 1 0 0 0 0
7 12 1 0 0 0 0
7 21 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
8 15 1 6 0 0 0
9 12 1 0 0 0 0
9 34 1 6 0 0 0
10 13 1 0 0 0 0
10 35 1 1 0 0 0
11 16 1 0 0 0 0
11 20 2 0 0 0 0
13 18 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 16 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 19 2 0 0 0 0
15 40 1 0 0 0 0
16 22 2 0 0 0 0
17 23 1 0 0 0 0
17 41 1 0 0 0 0
17 42 1 0 0 0 0
18 19 1 0 0 0 0
18 43 1 0 0 0 0
19 44 1 0 0 0 0
20 24 1 0 0 0 0
20 45 1 0 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
21 48 1 0 0 0 0
22 25 1 0 0 0 0
22 49 1 0 0 0 0
23 26 1 0 0 0 0
23 50 1 0 0 0 0
23 51 1 0 0 0 0
24 25 2 0 0 0 0
26 29 2 0 0 0 0
26 30 1 0 0 0 0
27 52 1 0 0 0 0
27 53 1 0 0 0 0
27 54 1 0 0 0 0
28 55 1 0 0 0 0
28 56 1 0 0 0 0
29 31 1 0 0 0 0
29 57 1 0 0 0 0
30 32 2 0 0 0 0
30 58 1 0 0 0 0
31 33 2 0 0 0 0
31 59 1 0 0 0 0
32 33 1 0 0 0 0
32 60 1 0 0 0 0
33 61 1 0 0 0 0
M CHG 2 1 -1 6 1
M END
$$$$