B1KB7T -OEChem-04012113293D 28 29 0 0 0 0 0 0 0999 V2000 -2.3855 -0.3541 -0.7527 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1178 2.1026 -0.4649 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2871 -1.1712 1.1913 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9526 0.4668 -0.3556 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8149 1.0111 0.2224 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9041 -1.2502 0.1429 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0467 0.5071 0.3823 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1469 -0.8287 0.3426 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7168 -0.1818 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 -0.2891 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4038 0.9438 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9745 0.9975 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0806 -1.4148 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2977 -1.4685 -0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1359 -0.1278 0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1536 -1.0624 0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6431 2.6031 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5393 -0.4835 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4443 1.9726 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 -2.3507 -0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7786 -2.4357 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2263 -2.1112 -0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6976 -0.9799 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8313 2.8422 1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3243 1.8773 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 3.5188 0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8558 1.1019 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1981 -0.8138 1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 3 28 1 0 0 0 0 4 18 2 0 0 0 0 5 7 1 0 0 0 0 5 15 2 0 0 0 0 6 8 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 M END $$$$