D0A5JS -OEChem-09301911282D 89 93 0 1 0 0 0 0 0999 V2000 2.8602 -2.4692 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9658 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -0.4758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2641 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3701 -2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3701 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 -1.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2689 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2689 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9765 -3.0137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7747 -3.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7747 0.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9765 0.0137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 -0.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -1.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 -2.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6535 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6535 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4727 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -1.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 -2.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3392 -1.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 0.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9368 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5383 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5383 4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9368 5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8588 7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0617 7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0617 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8588 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3822 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9836 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9402 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3388 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7501 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5101 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 3 19 1 0 0 0 0 3 28 1 0 0 0 0 4 21 2 0 0 0 0 5 24 2 0 0 0 0 6 30 2 0 0 0 0 7 37 1 0 0 0 0 7 43 1 0 0 0 0 8 35 1 0 0 0 0 8 45 1 0 0 0 0 9 44 2 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 24 1 0 0 0 0 11 21 1 0 0 0 0 11 24 1 0 0 0 0 11 27 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 30 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 47 1 0 0 0 0 16 20 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 22 25 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 26 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 29 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 28 66 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 35 1 0 0 0 0 33 72 1 0 0 0 0 34 36 2 0 0 0 0 34 73 1 0 0 0 0 35 37 2 0 0 0 0 36 37 1 0 0 0 0 36 74 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 41 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 42 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 42 83 1 0 0 0 0 42 84 1 0 0 0 0 43 44 1 0 0 0 0 43 85 1 0 0 0 0 43 86 1 0 0 0 0 45 87 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 M END $$$$