B3VHO8 -OEChem-04022103453D 46 49 0 0 0 0 0 0 0999 V2000 5.6774 -1.2012 0.9246 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.0284 -1.3318 -0.3117 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 -2.2271 -0.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3787 1.0505 0.1654 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3105 0.8491 -0.5965 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7438 0.0080 0.0451 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0876 -0.1526 -0.0038 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2734 -0.3794 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 -0.1379 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0673 -0.2810 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6714 0.7805 -0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4027 0.6499 -0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 -1.6424 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5246 -0.8463 -0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0283 0.4166 -0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 -1.8759 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4110 -0.4840 0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6573 1.6690 -0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3666 0.4097 0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9970 1.4728 -0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9084 -1.0895 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2279 0.9607 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9449 -0.2090 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3394 -0.1832 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9056 2.1563 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0170 1.0124 0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3000 2.1821 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7547 0.9342 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2601 -2.5105 -0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 1.6417 -0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3928 -2.4924 0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3874 1.2371 -0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0214 -2.8667 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7070 -1.3118 1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3796 2.5028 -1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4124 0.2706 0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 2.1578 -0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3790 -1.1155 -0.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3602 3.0754 0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8153 3.1203 0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3953 0.9325 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2504 1.8971 0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6715 1.9594 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9692 -3.3258 -0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6707 -2.7910 0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6478 -2.4209 -1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 24 1 0 0 0 0 2 29 1 0 0 0 0 3 21 2 0 0 0 0 4 26 1 0 0 0 0 4 43 1 0 0 0 0 5 9 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 41 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 18 2 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 16 2 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 27 40 1 0 0 0 0 28 42 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$