D00639 -OEChem-05072122003D 28 29 0 1 0 0 0 0 0999 V2000 1.7216 -0.8718 0.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 1.8242 0.1922 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -2.7199 0.3146 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9402 1.2301 0.0779 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -0.7407 -0.0262 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7532 -0.7429 0.1938 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8947 -1.3907 -0.0732 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8840 -0.2528 0.3891 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5881 -1.0646 -1.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7219 -0.4182 -1.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9388 1.2032 0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4511 0.6297 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 -1.4959 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5812 1.3472 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8684 0.6311 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6219 2.8321 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 -2.4732 0.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -0.7906 0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.3256 -2.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -0.0789 -1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0746 1.2582 1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0463 1.7825 0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4747 1.1412 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6169 -1.2594 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6218 3.2562 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0631 3.3051 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 3.1013 -1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0817 2.7419 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 3 13 2 0 0 0 0 4 15 2 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$