B1JIG4 -OEChem-04022104542D 56 59 0 1 0 0 0 0 0999 V2000 3.1756 -3.0859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -5.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0267 2.6890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0267 1.6890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5267 0.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2177 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8357 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5267 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9389 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8927 3.1890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8927 4.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 -0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 -1.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7588 2.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7588 4.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 -1.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 -2.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0267 4.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -2.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7588 5.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0267 5.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6527 4.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8927 6.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6527 6.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5588 4.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5588 5.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -3.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -4.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5791 1.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8082 -0.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9077 1.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6513 0.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4021 0.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1457 1.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4619 -0.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1332 0.0212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4898 2.9990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8927 2.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 0.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9623 -1.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4488 2.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2957 2.3790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0688 3.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -1.2986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 -2.9478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4898 4.3790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4898 5.9990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6455 3.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8927 6.8090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6455 6.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0945 4.3561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0945 6.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 -4.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0963 -3.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 -6.2236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 56 1 0 0 0 0 3 29 2 0 0 0 0 5 4 1 1 0 0 0 11 4 1 1 0 0 0 4 38 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 1 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 19 2 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 14 18 2 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 21 1 0 0 0 0 16 23 2 0 0 0 0 17 20 2 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 46 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 23 26 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END $$$$