LJ0E1F -OEChem-05022321272D 42 45 0 1 0 0 0 0 0999 V2000 7.8279 -0.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 0.1778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 0.9826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 3.1496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 2.9544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6714 -0.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -0.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 -2.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3357 -2.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 1.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3279 0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 1.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 1.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8279 -0.7913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6678 -2.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 1.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3279 -1.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7342 2.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4788 0.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9241 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1665 -0.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3646 -2.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 -0.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4781 -1.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0829 -2.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8406 -2.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 -2.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1379 -0.2543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5330 2.9596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1252 0.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 -1.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0179 -2.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8649 -1.9673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1252 3.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 2.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1379 -1.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 0 1 42 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 14 2 0 0 0 0 3 15 1 0 0 0 0 4 19 2 0 0 0 0 4 20 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 5 40 1 0 0 0 0 6 18 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 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 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 18 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$