B31FTE -OEChem-04012113032D 72 76 0 1 0 0 0 0 0999 V2000 8.2619 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -2.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.0981 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 1.2933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.2619 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7619 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7619 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7619 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2619 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2619 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7619 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7619 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2619 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2619 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0719 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 0.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 0.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0719 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 1.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 1.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 0.6215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1419 -2.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 1.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 1.4441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 1.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3445 -0.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 0.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3819 -2.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9519 -3.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5719 -3.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 2.6541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 3.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 3.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 -1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5719 -0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1419 -2.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3819 -2.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9519 -3.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5719 -3.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 22 1 0 0 0 0 2 16 1 0 0 0 0 2 63 1 0 0 0 0 3 27 1 0 0 0 0 3 31 1 0 0 0 0 4 16 2 0 0 0 0 5 23 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 45 1 0 0 0 0 7 18 1 0 0 0 0 7 27 1 0 0 0 0 7 30 1 0 0 0 0 8 27 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 19 2 0 0 0 0 13 23 1 0 0 0 0 13 25 2 0 0 0 0 14 20 1 0 0 0 0 14 46 1 0 0 0 0 15 21 2 0 0 0 0 15 47 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 26 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 24 29 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 28 1 0 0 0 0 25 57 1 0 0 0 0 26 28 2 0 0 0 0 26 58 1 0 0 0 0 28 59 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 35 2 0 0 0 0 32 36 2 0 0 0 0 33 37 1 0 0 0 0 33 64 1 0 0 0 0 34 38 2 0 0 0 0 34 65 1 0 0 0 0 35 39 1 0 0 0 0 35 66 1 0 0 0 0 36 40 1 0 0 0 0 36 67 1 0 0 0 0 37 41 2 0 0 0 0 37 68 1 0 0 0 0 38 41 1 0 0 0 0 38 69 1 0 0 0 0 39 40 2 0 0 0 0 39 70 1 0 0 0 0 40 71 1 0 0 0 0 41 72 1 0 0 0 0 M END $$$$