LEQJ19 -OEChem-05022323152D 44 46 0 1 0 0 0 0 0999 V2000 5.2867 -4.6706 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4777 -0.0829 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9677 2.5908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 0.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 4.1043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3690 1.5727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 1.6772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 2.3817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9568 2.3817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9513 2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5391 3.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 3.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1324 3.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3745 1.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7867 0.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 0.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0957 -0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2867 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2867 -1.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1527 -2.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 -2.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1527 -3.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 -3.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 1.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2867 -3.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2090 1.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7804 1.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5086 2.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9698 2.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0531 3.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1194 3.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0360 2.9485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7339 4.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0891 4.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8857 4.6706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6212 1.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6854 -0.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 2.2436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 -1.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8837 -1.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 -3.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8837 -3.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 2.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 3 14 2 0 0 0 0 4 24 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 35 1 0 0 0 0 9 6 1 6 0 0 0 6 14 1 0 0 0 0 6 36 1 0 0 0 0 7 16 1 0 0 0 0 7 24 1 0 0 0 0 7 38 1 0 0 0 0 8 24 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$