D9I3WE -OEChem-06062108542D 44 46 0 1 0 0 0 0 0999 V2000 4.5981 1.3372 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.3372 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0554 -3.6972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9387 -2.2074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7873 -3.7173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.6974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9962 -0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0785 -1.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9271 -3.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2052 -0.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6070 -0.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6070 0.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2052 1.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4837 1.8509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6855 1.8417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4692 -1.5827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8598 -2.2775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 -1.9036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7802 -4.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3278 -3.4135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 23 1 0 0 0 0 5 20 2 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 38 1 0 0 0 0 7 20 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 1 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$