B92QCK -OEChem-04022103292D 67 68 0 0 0 0 0 0 0999 V2000 10.1279 1.2640 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.5320 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 2.1301 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.1340 3.0320 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.5443 -1.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -1.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7950 -2.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6279 0.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8335 1.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2945 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 2.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1378 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 2.1301 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.9939 0.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.5320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5443 0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 -1.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1279 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1279 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 -1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6279 -1.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1279 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7028 -2.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5688 -3.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3440 -0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1441 2.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0388 -0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1226 2.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9894 -0.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7105 -0.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0202 0.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8179 -2.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4379 0.0689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2588 -3.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1057 -3.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8788 -2.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1236 3.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5303 2.5313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3309 0.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5509 -0.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -2.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -2.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2505 2.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7293 2.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9948 3.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7968 -1.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5787 -1.0215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1820 -0.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 1 16 2 0 0 0 0 1 17 2 0 0 0 0 2 9 1 0 0 0 0 2 18 1 0 0 0 0 2 19 2 0 0 0 0 2 20 2 0 0 0 0 5 22 1 0 0 0 0 5 25 1 0 0 0 0 6 27 1 0 0 0 0 6 29 1 0 0 0 0 7 26 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 43 1 0 0 0 0 11 38 1 0 0 0 0 11 41 1 0 0 0 0 12 40 1 0 0 0 0 12 42 1 0 0 0 0 13 38 2 0 0 0 0 14 40 2 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 21 32 2 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 38 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 24 31 2 0 0 0 0 25 35 2 0 0 0 0 26 30 2 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 33 2 0 0 0 0 28 40 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 48 1 0 0 0 0 31 34 1 0 0 0 0 31 49 1 0 0 0 0 32 36 1 0 0 0 0 32 50 1 0 0 0 0 33 39 1 0 0 0 0 35 37 1 0 0 0 0 35 51 1 0 0 0 0 36 37 2 0 0 0 0 39 52 1 0 0 0 0 39 53 1 0 0 0 0 39 54 1 0 0 0 0 41 44 1 0 0 0 0 41 55 1 0 0 0 0 41 56 1 0 0 0 0 42 45 1 0 0 0 0 42 57 1 0 0 0 0 42 58 1 0 0 0 0 43 59 1 0 0 0 0 43 60 1 0 0 0 0 43 61 1 0 0 0 0 44 62 1 0 0 0 0 44 63 1 0 0 0 0 44 64 1 0 0 0 0 45 65 1 0 0 0 0 45 66 1 0 0 0 0 45 67 1 0 0 0 0 M CHG 4 3 1 4 1 15 -1 18 -1 M END $$$$