BH3E9F -OEChem-04022101352D 51 55 0 0 0 0 0 0 0999 V2000 5.0644 2.1994 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -3.6612 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -3.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -4.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.6076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -1.0018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.1971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2623 3.2742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4939 -4.5273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 1.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 2.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6593 3.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4036 3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -2.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -2.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 3.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1974 4.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5026 4.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 5.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 1.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 2.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 0.3398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.6129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8039 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3739 -1.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6139 -1.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 -3.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2473 3.0038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6588 5.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 4.5890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1190 5.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.5071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1139 -4.5273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1839 -5.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 22 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 3 29 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 8 37 1 0 0 0 0 9 17 2 0 0 0 0 9 23 1 0 0 0 0 10 29 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 18 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 39 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 30 2 0 0 0 0 23 31 2 0 0 0 0 24 27 1 0 0 0 0 24 40 1 0 0 0 0 25 28 2 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 30 32 1 0 0 0 0 30 44 1 0 0 0 0 31 33 1 0 0 0 0 31 45 1 0 0 0 0 32 33 2 0 0 0 0 32 46 1 0 0 0 0 33 47 1 0 0 0 0 M END $$$$