B4AKG9
-OEChem-04012113512D
57 61 0 0 0 0 0 0 0999 V2000
7.1279 0.0453 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9547 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 1.7774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -2.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1441 2.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5013 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6279 0.9113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 0.8501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -0.7594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2115 0.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1577 0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1620 1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2115 1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6279 0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9063 2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0053 2.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7001 3.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7496 3.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6279 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 -1.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 -1.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8550 1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8335 2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 -3.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6741 -0.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4625 -0.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2847 -0.1955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7746 0.4738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4957 1.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4160 2.8872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1616 3.4658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6217 3.9691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8179 0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2479 -0.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0453 -1.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7356 -1.4313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4379 -2.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8344 2.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2411 1.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.6653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5910 -3.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4379 -3.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6648 -3.1088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7301 3.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
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32 53 1 0 0 0 0
35 54 1 0 0 0 0
35 55 1 0 0 0 0
35 56 1 0 0 0 0
M END
$$$$