B4D2QI -OEChem-04022107442D 53 56 0 0 0 0 0 0 0999 V2000 9.7619 -3.9788 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1279 -4.3448 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -2.9788 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -2.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7654 3.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.0760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.6854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1226 2.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 0.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 1.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 2.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 2.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 2.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -2.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -2.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -3.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 3.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4118 3.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7225 4.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2475 0.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 -0.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5804 1.4910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0837 3.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6689 3.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 -3.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5367 1.7761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 -0.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2479 -1.7467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 -0.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8259 2.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3291 4.4726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3084 4.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 22 2 0 0 0 0 5 32 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 8 39 1 0 0 0 0 9 20 1 0 0 0 0 9 32 1 0 0 0 0 9 47 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 13 18 1 0 0 0 0 13 19 2 0 0 0 0 14 17 2 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 20 24 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 M END $$$$