B7XCP2 -OEChem-04022100492D 47 49 0 1 0 0 0 0 0999 V2000 7.1441 3.8338 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 4.5782 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2151 3.9383 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 2.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -1.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7840 2.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0117 1.3879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.1171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 2.6771 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1279 0.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 3.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8055 2.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -1.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 0.9219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 -0.9207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 -1.4531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.1119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 2.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.6858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1980 2.1112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5548 -2.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3367 -2.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7334 -1.7975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.7682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 13 1 0 0 0 0 4 36 1 0 0 0 0 5 15 1 0 0 0 0 5 22 1 0 0 0 0 6 17 1 0 0 0 0 6 24 1 0 0 0 0 7 20 1 0 0 0 0 7 39 1 0 0 0 0 8 20 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 14 30 1 0 0 0 0 15 19 2 0 0 0 0 16 21 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 M END $$$$