L4I7RT -OEChem-05022323252D 41 44 0 0 0 0 0 0 0999 V2000 8.0678 -4.3413 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1216 -3.0366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1705 -4.3456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8834 -1.5686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 -0.4097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0511 4.3456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 0.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7441 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7936 1.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6891 -0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0678 -2.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3785 -1.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1705 -2.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1216 -4.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8615 -1.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6514 -3.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5827 -3.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5743 -0.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 2.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 3.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3807 0.1532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2320 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0361 1.3344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8809 1.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 1.0776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4755 -1.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8831 -1.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2714 -3.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9627 -3.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 -2.0294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1813 -0.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 0.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 1.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 1.8293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0621 2.6963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 19 2 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 15 2 0 0 0 0 4 18 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 5 36 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 37 1 0 0 0 0 7 26 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 3 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$