BLX4S3 -OEChem-04012118092D 57 58 0 1 0 0 0 0 0999 V2000 6.5661 1.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5876 3.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 2.2902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 2.3413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4897 3.3705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7891 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 1.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 2.6503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8934 3.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6365 4.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9423 3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7465 2.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 1.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 2.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 1.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 3.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4916 3.3702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 3.3702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 3.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 2.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 3.4369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1813 1.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0514 3.8368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0973 4.7124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2217 4.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1339 4.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3527 4.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7507 3.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.3802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4555 2.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2351 2.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0794 3.1790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3608 3.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 14 2 0 0 0 0 3 19 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 13 5 1 6 0 0 0 5 19 1 0 0 0 0 5 37 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 6 38 1 0 0 0 0 7 21 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 6 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 24 26 2 0 0 0 0 24 52 1 0 0 0 0 25 27 2 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 M END $$$$