EXO0905 -OEChem-04222010222D 49 52 0 1 0 0 0 0 0999 V2000 10.7263 -1.5783 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -1.6024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -2.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7263 -1.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7262 -1.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 2.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.9217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6355 2.3656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 0.9425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 0.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.4217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1282 -0.0783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8602 0.9217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8602 -0.0783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9942 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 -0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6291 2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 1.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -0.0991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7263 1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5961 -0.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 1.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6379 1.9768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1347 -0.9283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 0.2317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 -1.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3927 -1.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8406 -1.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 -1.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2307 2.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5596 2.9621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5912 0.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3021 2.8883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0363 0.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 1.7317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4163 1.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 -0.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0061 -1.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -1.2291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 1.2063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -2.8883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 1.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 17 2 1 1 0 0 0 24 3 1 1 0 0 0 3 45 1 0 0 0 0 4 48 1 0 0 0 0 7 27 2 0 0 0 0 8 28 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 40 1 0 0 0 0 11 21 2 0 0 0 0 11 22 1 0 0 0 0 12 25 1 0 0 0 0 12 27 1 0 0 0 0 12 46 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 49 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 14 29 1 1 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 1 0 0 0 16 17 1 0 0 0 0 16 23 1 1 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 1 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$