D00UBK -OEChem-10101305032D 83 88 0 0 0 0 0 0 0999 V2000 8.9282 -0.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 1.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 0.1709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.1709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.7801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.7801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4545 -0.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5827 -2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 0.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 2.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7147 -2.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7109 -3.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1865 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 0.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0506 -1.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9186 -0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6643 -1.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0655 -0.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3767 -0.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9755 -1.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7925 -2.8455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1937 -2.1568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 2.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 1.6761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 -0.3959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 2.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 2.9133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5049 -2.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1037 -2.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 3.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 3.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0909 -3.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7085 -4.3787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3309 -3.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 4.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 3.2218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6484 -1.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0607 1.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0482 -1.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4605 0.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4543 -1.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.3787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 -1.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 26 2 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 4 26 1 0 0 0 0 5 13 2 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 45 2 0 0 0 0 7 9 2 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 83 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 18 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 23 1 0 0 0 0 18 24 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 25 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 2 0 0 0 0 21 58 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 59 1 0 0 0 0 24 29 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 30 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 31 1 0 0 0 0 27 33 1 0 0 0 0 27 64 1 0 0 0 0 28 34 2 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 36 2 0 0 0 0 31 37 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 35 38 1 0 0 0 0 35 39 2 0 0 0 0 36 40 1 0 0 0 0 36 74 1 0 0 0 0 37 41 2 0 0 0 0 37 75 1 0 0 0 0 38 42 2 0 0 0 0 38 45 1 0 0 0 0 39 44 1 0 0 0 0 39 76 1 0 0 0 0 40 43 2 0 0 0 0 40 77 1 0 0 0 0 41 43 1 0 0 0 0 41 78 1 0 0 0 0 42 46 1 0 0 0 0 42 79 1 0 0 0 0 43 80 1 0 0 0 0 44 46 2 0 0 0 0 44 81 1 0 0 0 0 46 82 1 0 0 0 0 M END $$$$