L4QE8J -OEChem-05022322162D 43 46 0 0 0 0 0 0 0999 V2000 2.0000 2.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.4177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -1.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 0.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -2.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 1.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -2.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 2.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -1.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -3.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5804 0.7587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2475 -0.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -3.0159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -0.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.9947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.3044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0837 2.2986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7508 1.4269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 -3.0159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 -0.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 1.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 2.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6689 2.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7479 -1.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 43 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 26 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 3 27 1 0 0 0 0 4 9 1 0 0 0 0 4 18 2 0 0 0 0 5 11 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 19 1 0 0 0 0 13 28 1 0 0 0 0 14 20 2 0 0 0 0 14 29 1 0 0 0 0 15 21 1 0 0 0 0 15 30 1 0 0 0 0 16 22 2 0 0 0 0 16 31 1 0 0 0 0 17 23 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 24 2 0 0 0 0 19 35 1 0 0 0 0 20 24 1 0 0 0 0 20 36 1 0 0 0 0 21 25 2 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$