BL81BS -OEChem-04012116572D 47 50 0 1 0 0 0 0 0999 V2000 8.7631 0.6482 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.7995 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8927 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5638 3.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2631 2.1870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4540 1.5992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.1609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 0.8097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0721 1.5992 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9011 2.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0231 1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8314 3.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7999 1.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9210 3.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6604 3.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6289 2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5592 3.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9362 3.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8315 0.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6128 1.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2147 1.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2741 3.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8432 1.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6171 4.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1862 2.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0439 3.9109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3257 3.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8286 2.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0732 3.6235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9329 1.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.5827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 26 1 0 0 0 0 4 16 2 0 0 0 0 5 23 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 7 13 2 0 0 0 0 8 13 1 0 0 0 0 8 21 2 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 41 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 44 1 0 0 0 0 28 30 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$