B54JCM -OEChem-04022100222D 39 41 0 0 0 0 0 0 0999 V2000 5.0751 -4.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 2.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6587 -3.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 2.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0751 -2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1288 -3.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7179 -1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1288 -4.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3857 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7144 1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7394 -1.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 -0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6587 -3.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0715 -0.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3607 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2628 -2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2628 -4.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3968 -3.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3968 -4.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 3.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9924 -1.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1674 1.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 0.6835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 -1.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6352 0.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4649 -0.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5533 1.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2628 -1.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2628 -5.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8599 -2.7511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8599 -4.3710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2148 3.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0504 4.3047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4615 4.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 5.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5385 4.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 14 2 0 0 0 0 4 21 2 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 17 2 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 18 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 21 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 13 16 2 0 0 0 0 13 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$