D0T2KT -OEChem-09301911172D 46 50 0 0 0 0 0 0 0999 V2000 2.8660 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -2.5242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6794 -0.7331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -2.5347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -2.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8680 -0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -1.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6732 -2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2599 -1.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8578 -3.1508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1258 -3.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8703 0.0892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4643 -0.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8636 -2.9326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8743 -0.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8799 -1.5425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 25 1 0 0 0 0 2 30 1 0 0 0 0 3 17 2 0 0 0 0 4 9 1 0 0 0 0 4 17 1 0 0 0 0 4 23 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 5 33 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 6 38 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 18 2 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 10 16 1 0 0 0 0 10 22 2 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 32 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 43 1 0 0 0 0 27 29 2 0 0 0 0 27 44 1 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$