B8QU5M -OEChem-04022105192D 59 63 0 0 0 0 0 0 0999 V2000 13.5511 -2.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3063 0.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7974 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8718 3.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.7301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.2699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -1.2301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.2699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 2.2940 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.8622 0.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -1.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 -1.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -0.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2954 -2.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1001 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2672 -2.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7672 -1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7672 -3.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7672 -1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 0.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7672 -3.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2672 -2.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 0.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 0.8525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -1.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -1.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 1.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 1.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5195 -0.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 -1.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3297 -1.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1267 -1.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9928 -0.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1957 -0.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0617 -1.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8588 -1.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7248 -0.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9277 -0.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 2.0799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.8899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4572 -3.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0772 -1.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -0.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 2.9245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0772 -3.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8872 -2.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 21 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 17 2 0 0 0 0 8 24 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 25 2 0 0 0 0 19 51 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 28 2 0 0 0 0 24 26 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 27 53 1 0 0 0 0 28 32 1 0 0 0 0 28 54 1 0 0 0 0 29 34 2 0 0 0 0 29 55 1 0 0 0 0 30 33 2 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 34 59 1 0 0 0 0 M CHG 2 3 -1 9 1 M END $$$$