B1KFI3 -OEChem-04022100262D 42 43 0 0 0 0 0 0 0999 V2000 8.2619 0.2640 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.4680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.6020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 2.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 0.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 0.9180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 2.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 2.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 1.7406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 1.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 1.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 1.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -0.3466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8445 0.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -2.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 -1.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -0.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2988 2.5521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0719 3.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2249 3.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.0651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 18 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 33 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 15 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 M END $$$$