L78GKU -OEChem-05032300542D 87 92 0 0 0 0 0 0 0999 V2000 8.3453 1.0345 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1565 2.1930 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5137 2.9590 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2573 -7.2447 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5747 -5.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 2.8305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2248 -1.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4022 6.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.0448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0852 -4.5388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 -4.1201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 -1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7147 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 -2.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7369 -0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -3.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -3.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 -0.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4559 -3.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3757 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8021 -0.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1869 1.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2021 1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3605 0.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5406 -5.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1717 2.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9569 1.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3871 0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -6.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5343 2.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9645 1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9654 -6.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8325 -5.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5381 2.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1079 3.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6852 4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 3.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2588 5.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6776 4.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 5.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8286 5.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0094 6.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6477 5.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1847 -0.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3397 0.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 -1.8593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 -2.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -2.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -1.7501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4322 -0.4413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -1.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 -3.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 -3.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9187 -3.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 -3.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9069 -0.3362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7943 -1.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7704 0.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0944 2.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5915 1.5644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 0.2503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9711 0.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 1.6267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0315 0.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4882 3.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3469 1.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7432 -6.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3866 -6.8916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1876 -7.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0547 -6.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4114 -5.7305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6104 -5.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2761 3.2361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0676 4.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3661 2.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9968 5.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2953 4.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 6.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5016 6.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6538 5.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2921 4.7822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1556 4.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0034 5.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1401 7.2447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 32 1 0 0 0 0 5 11 1 0 0 0 0 5 28 1 0 0 0 0 6 24 1 0 0 0 0 6 68 1 0 0 0 0 7 23 2 0 0 0 0 8 44 1 0 0 0 0 8 87 1 0 0 0 0 9 20 1 0 0 0 0 9 23 1 0 0 0 0 9 27 1 0 0 0 0 10 21 1 0 0 0 0 10 28 2 0 0 0 0 11 21 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 18 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 19 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 22 61 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 30 1 0 0 0 0 27 31 2 0 0 0 0 28 32 1 0 0 0 0 30 33 2 0 0 0 0 30 66 1 0 0 0 0 31 34 1 0 0 0 0 31 67 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 33 38 1 0 0 0 0 34 37 2 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 37 76 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 77 1 0 0 0 0 40 42 2 0 0 0 0 40 78 1 0 0 0 0 41 43 2 0 0 0 0 41 79 1 0 0 0 0 42 43 1 0 0 0 0 42 80 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 45 81 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 46 84 1 0 0 0 0 46 85 1 0 0 0 0 46 86 1 0 0 0 0 M END $$$$