B97HDS -OEChem-04012113452D 54 58 0 1 0 0 0 0 0999 V2000 4.0908 -0.3637 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5241 -5.4324 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 2.8343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5908 -1.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5908 0.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 0.3916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2187 -1.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 0.1363 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.6351 -2.1684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8812 -3.7376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 1.1023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 0.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 1.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -0.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -0.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -2.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 -0.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 3.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2187 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 -3.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9242 -3.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4659 3.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 4.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9659 4.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 5.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2349 -4.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5921 -2.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4659 5.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2134 -4.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5706 -2.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5806 1.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 1.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 0.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -0.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 -0.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 1.5698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 2.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 0.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4199 -2.1737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -2.9837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 -3.2063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9252 -3.7386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7759 3.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3459 4.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5859 4.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1559 5.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 -4.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3995 -1.9915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7759 5.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9846 -2.3256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 33 1 0 0 0 0 3 14 1 0 0 0 0 3 22 1 0 0 0 0 6 21 2 0 0 0 0 7 23 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 19 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 33 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 1 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 17 20 2 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 32 2 0 0 0 0 28 49 1 0 0 0 0 29 32 1 0 0 0 0 29 50 1 0 0 0 0 30 33 1 0 0 0 0 30 51 1 0 0 0 0 31 34 2 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$