BU3JF8 -OEChem-04012112162D 75 80 0 1 0 0 0 0 0999 V2000 6.2619 -3.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4348 4.4665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 0.5838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.8772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 3.3098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 1.8212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 1.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 2.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 2.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7705 2.9779 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5028 1.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7920 2.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4383 2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1241 3.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0811 3.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4168 2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -0.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -1.7787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -0.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -1.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -1.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -1.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 0.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -0.4525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 0.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 2.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 1.6217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3747 0.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 3.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9598 0.7410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3812 3.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3771 3.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7315 3.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9119 1.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6696 1.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6704 3.7358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2737 4.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4918 4.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5447 1.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0235 2.5677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2890 3.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7996 0.9197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 0.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2963 -0.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9634 -1.4919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3782 -1.8259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 32 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 52 1 0 0 0 0 6 27 1 0 0 0 0 6 32 1 0 0 0 0 6 62 1 0 0 0 0 7 29 1 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 41 1 0 0 0 0 9 11 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 17 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 16 19 2 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 53 1 0 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 20 25 1 0 0 0 0 20 55 1 0 0 0 0 21 26 2 0 0 0 0 21 56 1 0 0 0 0 22 23 2 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 28 33 1 0 0 0 0 28 61 1 0 0 0 0 29 34 1 0 0 0 0 30 32 1 0 0 0 0 31 35 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 38 1 0 0 0 0 36 71 1 0 0 0 0 37 39 2 0 0 0 0 37 72 1 0 0 0 0 38 40 2 0 0 0 0 38 73 1 0 0 0 0 39 40 1 0 0 0 0 39 74 1 0 0 0 0 40 75 1 0 0 0 0 M END $$$$