B8JXR1
-OEChem-04012117422D
54 55 0 1 0 0 0 0 0999 V2000
8.5991 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.7331 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2565 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6550 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8112 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2097 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6550 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2565 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2097 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8112 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1316 5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3346 5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7365 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5335 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9230 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5244 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 18 1 0 0 0 0
2 19 1 0 0 0 0
3 18 2 0 0 0 0
4 7 1 0 0 0 0
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9 11 1 0 0 0 0
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12 14 1 0 0 0 0
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14 15 1 0 0 0 0
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15 16 1 0 0 0 0
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16 42 1 0 0 0 0
17 44 1 0 0 0 0
17 45 1 0 0 0 0
19 20 1 0 0 0 0
19 48 1 0 0 0 0
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20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 50 1 0 0 0 0
22 24 2 0 0 0 0
22 51 1 0 0 0 0
23 25 2 0 0 0 0
23 52 1 0 0 0 0
24 25 1 0 0 0 0
24 53 1 0 0 0 0
25 54 1 0 0 0 0
M END
$$$$