BO56IR -OEChem-04022106522D 47 50 0 1 0 0 0 0 0999 V2000 5.5321 -0.3331 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 13.0160 -0.3292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6198 -0.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3108 2.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 -0.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3618 -1.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0321 -1.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8070 -2.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3799 -0.5548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0844 -2.1372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 0.5329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6198 1.3420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5709 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5709 0.0329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0321 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2754 -1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2935 -0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1025 -0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9980 -1.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -1.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7506 -0.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0075 1.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1875 0.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6998 1.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4739 -0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1397 1.1435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4494 0.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7257 2.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3583 0.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0196 -2.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 1.6419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 1.6419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.9998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2977 -1.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9248 -2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5376 -1.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 1 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 14 4 1 1 0 0 0 4 37 1 0 0 0 0 5 17 1 0 0 0 0 6 21 1 0 0 0 0 7 23 1 0 0 0 0 8 18 2 0 0 0 0 10 24 2 0 0 0 0 16 11 1 6 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 18 1 0 0 0 0 12 24 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 6 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 26 42 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M END $$$$