D0GK7A -OEChem-10191522472D 84 88 0 0 0 0 0 0 0999 V2000 9.8602 0.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5807 3.9121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4958 3.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6814 4.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6588 5.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1621 4.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7166 3.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 0.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 1.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 -2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -4.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -3.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.7264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -4.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -4.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.8562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.8562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.2987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 2.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -5.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -5.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6142 5.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0614 4.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1879 2.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9988 3.1464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5787 3.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6623 4.6210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2242 5.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4649 5.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5023 3.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1065 3.2988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9348 1.8270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3307 2.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -1.7733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 1.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6421 2.4872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2462 1.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 -2.1404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8540 -2.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4764 -2.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 0 0 0 0 4 59 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 30 1 0 0 0 0 6 20 1 0 0 0 0 6 21 2 0 0 0 0 7 20 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 9 12 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 13 47 1 0 0 0 0 14 17 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 18 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 52 1 0 0 0 0 17 19 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 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 21 26 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 28 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 27 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 29 1 0 0 0 0 26 32 2 0 0 0 0 27 28 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 33 2 0 0 0 0 30 31 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 34 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 36 1 0 0 0 0 32 78 1 0 0 0 0 33 35 1 0 0 0 0 33 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 35 36 2 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 M END $$$$