D02JWA -OEChem-04152110112D 50 51 0 1 0 0 0 0 0999 V2000 5.7361 0.3057 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2049 -2.4366 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 3.3057 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 14.7031 -3.3057 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.7067 -1.5737 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3342 -1.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2064 -1.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9141 1.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 2.3057 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.2002 2.3057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2049 -2.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -1.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2002 0.3057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2085 -0.7005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 0.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7656 1.8002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 1.1421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7874 2.0082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2002 -0.6943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2085 -0.6984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2085 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3342 0.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 -0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 0.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3342 1.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7067 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3394 -2.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7067 -1.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8701 0.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2049 -2.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4185 -1.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5196 -0.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8576 -0.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2561 -1.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0007 1.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2036 1.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0305 -1.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8018 -2.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6483 -2.7342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2897 -1.3587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6003 -0.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 -1.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3682 -0.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8249 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7113 -0.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1779 -0.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 30 1 0 0 0 0 2 29 1 0 0 0 0 2 32 1 0 0 0 0 4 32 1 0 0 0 0 5 32 1 0 0 0 0 6 19 1 0 0 0 0 6 24 1 0 0 0 0 20 7 1 6 0 0 0 7 28 1 0 0 0 0 8 21 2 0 0 0 0 9 26 1 0 0 0 0 10 26 2 0 0 0 0 11 27 2 0 0 0 0 12 33 1 0 0 0 0 12 50 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 20 1 0 0 0 0 14 27 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 30 2 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 34 1 6 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 27 29 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 31 33 1 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 32 47 1 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 M CHG 2 3 1 9 -1 M END $$$$