B52OEI -OEChem-04022106322D 59 62 0 1 0 0 0 0 0999 V2000 9.3382 0.3558 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.9854 0.0307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4552 -2.4578 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0429 -2.3838 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1169 -0.9715 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5586 1.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0900 -0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8809 1.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2221 2.4578 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.8044 1.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6926 -0.0510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5074 -1.2534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8099 1.6488 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0349 -0.5081 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2937 0.4578 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9848 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 1.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8138 -1.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2604 0.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4338 -1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 -1.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5586 0.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4247 -0.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0074 -0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 -1.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0019 -0.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4086 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5897 -1.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4031 0.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5842 -0.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9909 -0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9800 0.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 0.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8749 1.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 1.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -1.8425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2305 -1.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6461 0.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2389 -1.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0278 -1.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1772 -1.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 -2.0729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3749 -1.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 -0.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -1.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8671 -1.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9435 -2.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -1.9791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0442 1.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3375 -1.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9486 -1.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0448 -0.4813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5966 0.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9152 0.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 27 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 28 1 0 0 0 0 6 24 2 0 0 0 0 9 13 1 0 0 0 0 10 13 2 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 11 24 1 0 0 0 0 12 26 1 0 0 0 0 12 27 2 0 0 0 0 13 32 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 31 33 2 0 0 0 0 31 55 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 M CHG 2 9 -1 13 1 M END $$$$