BU3CK2 -OEChem-04022102102D 86 89 0 0 0 0 0 0 0999 V2000 18.0804 -4.5983 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1664 4.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5236 2.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2774 -0.5094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8772 3.2073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 -1.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5666 -1.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2774 1.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8610 0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8772 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 2.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8557 -2.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1664 -3.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5666 2.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1449 -3.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8127 -3.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4556 -4.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1449 4.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8557 3.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7912 -3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4341 -5.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1234 4.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9387 5.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3511 3.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1019 -4.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3911 -5.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9742 -1.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5675 -2.0796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1804 -1.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5871 -1.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4810 0.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2634 -2.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8566 -3.2363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5675 2.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9742 2.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4695 -2.7355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8763 -2.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5526 -3.8608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1458 -4.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5871 1.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1804 2.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4632 3.6688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6201 -2.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0415 -5.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.7703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.7703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2053 -2.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6267 -5.7257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2512 4.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7301 4.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9955 5.3832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5453 5.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8108 6.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3320 5.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7444 3.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4790 2.9851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9578 3.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8017 -5.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5837 -6.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9804 -5.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 42 1 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 28 2 0 0 0 0 5 41 1 0 0 0 0 5 86 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 20 1 0 0 0 0 7 28 1 0 0 0 0 7 61 1 0 0 0 0 8 10 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 12 2 0 0 0 0 9 17 1 0 0 0 0 10 14 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 18 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 20 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 19 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 22 2 0 0 0 0 17 54 1 0 0 0 0 18 21 2 0 0 0 0 18 55 1 0 0 0 0 19 23 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 22 60 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 29 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 30 1 0 0 0 0 25 64 1 0 0 0 0 26 31 2 0 0 0 0 26 65 1 0 0 0 0 27 32 1 0 0 0 0 27 33 1 0 0 0 0 27 34 1 0 0 0 0 29 36 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 35 2 0 0 0 0 30 68 1 0 0 0 0 31 35 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 79 1 0 0 0 0 38 40 2 0 0 0 0 38 80 1 0 0 0 0 39 41 2 0 0 0 0 39 81 1 0 0 0 0 40 41 1 0 0 0 0 40 82 1 0 0 0 0 42 83 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 M END $$$$