L1KCD3 -OEChem-05022322412D 40 42 0 0 0 0 0 0 0999 V2000 4.5981 0.3100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.9646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.4771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 3.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 5.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 4.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 21 1 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 6 26 1 0 0 0 0 6 40 1 0 0 0 0 7 26 2 0 0 0 0 8 17 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$