BU2W5B -OEChem-04012113572D 45 47 0 0 0 0 0 0 0999 V2000 6.2619 0.9680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 4.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.1633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.7728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 2.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -3.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 3.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 3.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2961 -3.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 4.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -1.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 -0.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 -2.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 2.7001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 2.7001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 4.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8819 0.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -4.4321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 3.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8819 4.4321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 5.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 24 1 0 0 0 0 3 22 1 0 0 0 0 3 26 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 12 2 0 0 0 0 5 13 1 0 0 0 0 6 11 2 0 0 0 0 6 18 1 0 0 0 0 7 15 1 0 0 0 0 7 18 2 0 0 0 0 8 15 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 13 15 2 0 0 0 0 14 21 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 33 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 25 3 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$