D0E3SF -OEChem-10101305022D 82 86 0 1 0 0 0 0 0999 V2000 11.8966 3.3956 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.4000 4.2558 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.6651 5.5903 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3866 0.7956 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3933 2.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3866 0.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4000 4.2596 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.7607 2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0326 3.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 5.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7036 -4.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9841 -3.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3074 -4.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 3.5420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3733 -2.6685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5842 -5.1610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 1.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 1.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3933 2.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5254 2.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 3.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6613 2.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 4.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 4.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8900 1.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 3.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 5.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 5.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8833 -0.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 -0.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3800 -0.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8766 -1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3674 -2.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5715 -3.7558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3800 -0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8766 -1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4835 -4.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9630 -3.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4962 -5.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5969 -6.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7339 2.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7427 1.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2176 1.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 1.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0073 3.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6115 4.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 1.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9221 1.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9334 4.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1364 4.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0511 2.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4470 1.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3634 1.2670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3665 2.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 2.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 6.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2989 3.2002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7600 -0.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9842 -2.7144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3698 -2.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6016 -4.3751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9999 -0.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5646 -2.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1018 -4.2117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6358 -3.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0812 -5.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9800 -6.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6593 -7.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2137 -6.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 3 34 1 0 0 0 0 4 40 1 0 0 0 0 5 23 1 0 0 0 0 6 30 1 0 0 0 0 6 39 1 0 0 0 0 7 37 2 0 0 0 0 9 69 1 0 0 0 0 11 38 1 0 0 0 0 11 76 1 0 0 0 0 12 38 2 0 0 0 0 13 44 1 0 0 0 0 13 48 1 0 0 0 0 14 48 2 0 0 0 0 15 49 2 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 16 31 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 29 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 48 1 0 0 0 0 19 47 1 0 0 0 0 19 49 1 0 0 0 0 19 79 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 32 2 0 0 0 0 28 33 1 0 0 0 0 29 32 1 0 0 0 0 29 34 2 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 35 2 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 33 36 2 0 0 0 0 33 37 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 68 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 40 45 1 0 0 0 0 41 46 2 0 0 0 0 41 70 1 0 0 0 0 42 45 2 0 0 0 0 42 46 1 0 0 0 0 43 44 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 44 47 1 6 0 0 0 44 73 1 0 0 0 0 45 74 1 0 0 0 0 46 75 1 0 0 0 0 47 77 1 0 0 0 0 47 78 1 0 0 0 0 49 50 1 0 0 0 0 50 80 1 0 0 0 0 50 81 1 0 0 0 0 50 82 1 0 0 0 0 M CHG 2 2 1 8 -1 M END $$$$