LJW2D1 -OEChem-05032301132D 60 62 0 1 0 0 0 0 0999 V2000 5.1622 2.2979 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6302 0.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1165 1.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 2.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 -1.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 -1.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 -0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -0.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 -0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1622 -3.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1622 -3.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 0.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4223 1.0378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1622 2.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5812 -0.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 1.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 3.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1654 1.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2722 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8902 0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 1.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -0.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 1.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7403 -2.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1388 -1.6332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1856 -1.6332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5841 -2.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1388 -0.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7403 -0.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -0.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6252 -2.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8522 -3.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6991 -3.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6252 -3.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4722 -3.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6991 -2.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0119 0.8463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2516 2.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1144 3.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2484 3.4714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3407 -1.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1219 -0.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7239 0.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6826 -1.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0806 -1.7900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8619 -1.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4799 0.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0818 1.2914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3006 0.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -0.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 2.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5772 1.8128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 -0.8558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 1.8128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 17 2 1 1 0 0 0 2 19 1 0 0 0 0 3 22 1 0 0 0 0 3 58 1 0 0 0 0 4 22 2 0 0 0 0 5 28 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 11 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 20 1 0 0 0 0 17 22 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 M END $$$$