LB3QA9 -OEChem-05032300342D 57 58 0 1 0 0 0 0 0999 V2000 7.6401 -4.6491 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 3.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0269 1.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -0.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -2.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -3.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 -2.1491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 2.3509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1760 1.3509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1760 2.3509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3100 0.8509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0420 0.8509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3100 -0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -0.1491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3100 2.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -0.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1608 2.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 1.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8036 2.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6696 0.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4616 3.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -1.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1044 4.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4768 4.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 -3.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 -3.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9121 1.7759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5316 2.8588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1497 1.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 -0.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -0.7317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -0.7691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 3.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.3140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 -1.1240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5746 -1.1240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9488 1.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6978 1.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 2.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2731 1.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4142 2.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1947 -0.1400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0682 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1446 0.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5793 4.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5029 5.1240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6294 5.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5844 4.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8662 4.1643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3691 3.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3110 -1.8391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2507 -3.7567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8522 -3.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 12 3 1 1 0 0 0 3 44 1 0 0 0 0 13 4 1 6 0 0 0 4 21 1 0 0 0 0 15 5 1 6 0 0 0 5 23 1 0 0 0 0 6 23 2 0 0 0 0 7 26 2 0 0 0 0 8 23 1 0 0 0 0 8 26 1 0 0 0 0 8 55 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 6 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 6 0 0 0 11 18 1 6 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 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 19 43 1 0 0 0 0 20 22 2 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 M END $$$$