LE5C9F -OEChem-05022322162D 40 42 0 0 0 0 0 0 0999 V2000 8.0437 -3.2722 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 -0.2524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 2.8169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2067 -0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1951 -1.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0784 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0553 -2.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9386 -0.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9270 -1.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9039 -3.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 -0.5562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6546 -2.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0856 0.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 2.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4791 -0.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4604 -2.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.7822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.7822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5877 -4.3155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4372 -4.0984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2201 -3.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 23 1 0 0 0 0 2 11 1 0 0 0 0 2 21 1 0 0 0 0 3 13 1 0 0 0 0 3 22 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 26 1 0 0 0 0 5 8 1 0 0 0 0 5 17 2 0 0 0 0 6 9 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 12 2 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 16 19 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$