D04GDW -OEChem-10101305022D 53 56 0 1 0 0 0 0 0999 V2000 9.6309 2.0777 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6524 1.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4246 3.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8371 1.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0185 -0.3446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 -2.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6094 2.2839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3955 0.6162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3955 -0.3838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5294 -0.8838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6634 -0.3838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3417 0.9209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5294 1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -0.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6634 0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9253 0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5455 -1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3955 1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7534 -0.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6475 -2.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7454 -1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8266 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8787 -0.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 -1.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0301 0.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4854 -1.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2688 -1.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3995 0.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 1.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 1.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1309 1.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0907 -1.2555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8791 -0.9978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4514 1.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 0.5085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3862 -0.2986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3862 0.5309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7635 -2.5057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1546 -1.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0155 1.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3955 2.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7755 1.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2502 -2.9291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 -2.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8385 0.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8124 -3.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8020 2.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0234 1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 0.6482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 1.2753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4101 0.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 12 2 1 1 0 0 0 5 24 1 0 0 0 0 5 26 1 0 0 0 0 6 25 1 0 0 0 0 6 50 1 0 0 0 0 7 48 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 1 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 27 1 6 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 28 1 1 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 11 29 1 6 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 M END $$$$