L1QZV2 -OEChem-05022323323D 46 49 0 0 0 0 0 0 0999 V2000 -2.8854 -1.4543 -1.4557 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6505 -1.6910 0.5852 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6498 1.7194 -1.6748 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5753 -0.3276 -1.4942 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8232 -1.6249 1.3066 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2991 -2.9284 -0.5611 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9519 -1.6509 0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5701 -2.7871 1.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8106 -1.0927 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0717 -2.5052 1.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8719 -0.0500 -0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2077 -1.1773 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 0.0882 -2.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8359 -0.1356 -1.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 0.5807 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 0.4450 -1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6728 0.5253 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2937 -0.1140 -0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4713 1.7328 0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3805 0.0396 0.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8497 -1.0695 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4194 1.5804 1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8035 3.0011 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9841 -1.8818 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3002 2.6963 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0838 4.1169 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 3.9646 1.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7533 -3.7353 1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0636 -2.7876 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 -3.4309 1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8463 -1.9488 2.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 -1.6192 0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6304 1.1431 -2.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7912 -0.4863 -3.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2406 1.2651 -1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2677 0.2794 -0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -1.3053 -1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8454 0.4505 1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1474 0.5991 1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6202 3.1374 -0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 2.5772 2.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3421 5.1045 -0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5288 4.8333 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6561 -0.8492 1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6256 -2.2146 1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1412 -3.3650 -0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 17 2 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 4 37 1 0 0 0 0 5 24 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 24 2 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 18 36 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 26 2 0 0 0 0 23 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$