L1NE3Q -OEChem-05022323112D 43 46 0 1 0 0 0 0 0999 V2000 2.3572 -1.8747 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 1.8356 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 -0.8623 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 -1.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7308 -0.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7308 -0.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 1.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 0.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 0.1377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8648 0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7617 1.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 0.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 -0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 2.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9549 0.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9549 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8610 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8610 1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2678 -0.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 2.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 -0.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 -1.1794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 1.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 -0.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -0.3077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 1.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 2.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2678 -2.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -1.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9477 -0.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9477 2.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3967 0.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3967 1.9706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 4 38 1 0 0 0 0 5 39 1 0 0 0 0 7 12 2 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 1 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 13 17 1 0 0 0 0 14 30 1 0 0 0 0 15 20 2 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 23 1 0 0 0 0 17 22 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 25 2 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 26 2 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M END $$$$