BI9DM4 -OEChem-04022110142D 47 50 0 1 0 0 0 0 0999 V2000 5.5321 -1.3091 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 8.6198 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 -1.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0321 -2.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3618 2.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8070 2.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3799 0.6447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0844 2.2271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 -0.4430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5709 0.0570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0321 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6198 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5709 -0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2935 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2754 1.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1025 0.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9980 1.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0160 0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -2.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7506 0.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4739 0.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1397 0.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4494 -0.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 -1.8417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0725 -1.3075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3583 -0.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 0.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 0.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0196 2.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2977 -2.8508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9248 -3.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5376 -2.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7639 -0.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5824 0.1669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2682 0.9855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 6 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 7 20 2 0 0 0 0 8 24 2 0 0 0 0 12 9 1 1 0 0 0 9 16 1 0 0 0 0 9 20 1 0 0 0 0 10 20 1 0 0 0 0 10 24 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 1 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 21 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 2 0 0 0 0 18 22 2 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 25 1 0 0 0 0 22 28 1 0 0 0 0 23 26 1 0 0 0 0 23 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$