BM8R3S -OEChem-04012115142D 85 89 0 1 0 0 0 0 0999 V2000 13.9544 1.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7145 -1.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1538 0.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5930 0.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1434 0.6038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1757 0.6354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1434 -1.0057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.7990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7270 -0.2010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2270 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7270 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7270 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6976 1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5066 -0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6757 1.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2270 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7270 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9372 1.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1702 0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7580 1.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5770 -0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7525 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5715 -0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1593 0.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7416 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7361 0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3349 1.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3239 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9226 2.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9172 2.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3259 -0.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7020 -1.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7020 -0.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3470 -1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2421 1.7536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4841 2.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6901 -3.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5370 -3.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7640 -2.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7270 -1.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1070 -1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7270 -2.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5439 1.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8093 2.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3305 1.4544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5059 1.9063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2126 -0.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.1759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.1759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1170 1.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8237 -1.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.1759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.1759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9883 0.3554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7183 2.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9405 1.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6705 3.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2816 3.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 3 31 2 0 0 0 0 4 37 1 0 0 0 0 4 41 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 24 1 0 0 0 0 8 15 2 0 0 0 0 8 22 1 0 0 0 0 9 31 1 0 0 0 0 32 9 1 1 0 0 0 9 70 1 0 0 0 0 10 39 1 0 0 0 0 10 79 1 0 0 0 0 10 80 1 0 0 0 0 11 40 3 0 0 0 0 12 13 1 6 0 0 0 12 15 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 50 1 0 0 0 0 16 18 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 22 2 0 0 0 0 19 25 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 26 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 27 2 0 0 0 0 25 62 1 0 0 0 0 26 28 2 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 64 1 0 0 0 0 29 34 1 0 0 0 0 29 65 1 0 0 0 0 30 35 2 0 0 0 0 30 66 1 0 0 0 0 32 33 1 0 0 0 0 32 40 1 0 0 0 0 32 67 1 0 0 0 0 33 36 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 37 2 0 0 0 0 34 71 1 0 0 0 0 35 37 1 0 0 0 0 35 72 1 0 0 0 0 36 38 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 38 39 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 81 1 0 0 0 0 43 45 2 0 0 0 0 43 82 1 0 0 0 0 44 46 2 0 0 0 0 44 83 1 0 0 0 0 45 46 1 0 0 0 0 45 84 1 0 0 0 0 46 85 1 0 0 0 0 M END $$$$