BZ5QB3 -OEChem-04012120112D 57 61 0 0 0 0 0 0 0999 V2000 3.7320 1.0285 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 3.5230 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 2.1217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 3.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 4.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 2.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 4.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 5.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 1.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 3.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 5.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9064 6.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 1.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7576 3.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 6.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 2.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.3385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 4.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 5.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2176 1.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5109 4.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1054 5.7273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 6.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8287 1.1759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1220 3.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1531 7.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7809 2.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 5 11 1 0 0 0 0 5 36 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 18 2 0 0 0 0 9 19 1 0 0 0 0 10 20 2 0 0 0 0 10 21 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 22 1 0 0 0 0 13 23 2 0 0 0 0 13 24 1 0 0 0 0 14 29 2 0 0 0 0 14 30 1 0 0 0 0 15 22 2 0 0 0 0 15 37 1 0 0 0 0 16 23 1 0 0 0 0 16 38 1 0 0 0 0 17 24 2 0 0 0 0 17 39 1 0 0 0 0 18 25 1 0 0 0 0 18 40 1 0 0 0 0 19 26 2 0 0 0 0 19 41 1 0 0 0 0 20 27 1 0 0 0 0 20 42 1 0 0 0 0 21 28 2 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 31 2 0 0 0 0 25 47 1 0 0 0 0 26 31 1 0 0 0 0 26 48 1 0 0 0 0 27 32 2 0 0 0 0 27 49 1 0 0 0 0 28 32 1 0 0 0 0 28 50 1 0 0 0 0 29 33 1 0 0 0 0 29 51 1 0 0 0 0 30 34 2 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 33 35 2 0 0 0 0 33 55 1 0 0 0 0 34 35 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 M END $$$$