EXO1585 -OEChem-04222010112D 49 51 0 1 0 0 0 0 0999 V2000 4.5787 0.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1188 -0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5309 -2.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9848 -1.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4255 2.6299 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4255 1.6522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5787 1.1634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8842 2.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4056 2.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2721 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 2.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 2.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2721 0.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4255 -1.2808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2721 -1.7696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5787 -1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1188 -1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4255 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5651 -2.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4255 0.8022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 0.8952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4106 2.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4329 1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6198 3.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8529 3.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8976 3.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1190 3.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5892 2.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6615 0.2934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0601 -0.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9624 -0.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1802 -2.2445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9772 -2.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0455 -0.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4254 0.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8055 -0.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1266 -2.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1267 -2.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0035 -2.9151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1298 -2.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 16 3 1 6 0 0 0 3 45 1 0 0 0 0 4 18 2 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 1 0 0 0 8 9 1 0 0 0 0 8 26 1 1 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 13 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 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 1 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 23 2 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 M END $$$$