BKR3V6 -OEChem-04022108003D 82 86 0 0 0 0 0 0 0999 V2000 -1.3223 -3.2304 -1.4783 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1365 -2.0488 -0.7879 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9825 -1.1628 -0.3939 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3231 1.8700 0.9581 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0725 2.4535 1.2743 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6757 0.3441 0.2775 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 3.1019 1.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6863 4.1012 0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4706 -1.4497 -0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 -4.2300 -2.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7762 2.1055 1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2886 3.4560 -0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 0.0610 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1106 -1.9496 0.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7597 1.6247 0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.9115 0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3741 1.0003 0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5971 2.9459 -0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 -2.0011 0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 1.5395 0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9148 -2.1495 -0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1082 2.3480 -1.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0459 -2.4834 2.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4955 3.3780 -1.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1002 -3.5817 -3.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3397 -5.3216 -2.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0364 -4.7976 -0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 -2.3679 1.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0229 1.9468 2.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9725 2.8659 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4096 3.0160 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3748 -1.5845 -0.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2958 2.2776 -2.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1764 -2.8999 3.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 2.7897 -2.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7934 -2.8418 2.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4166 1.8378 -1.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4403 -2.5349 2.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7074 2.5041 0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7577 -1.6428 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 1.9162 -0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2895 -2.1172 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1853 3.6669 2.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 2.5618 2.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3808 4.8368 0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 4.6973 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9501 -0.5599 -1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6128 -2.2195 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5016 0.8774 0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3223 0.0551 1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2565 0.7577 -0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7039 0.7183 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5247 2.7764 1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9302 -2.9957 -2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 -2.9186 -3.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5651 -4.3499 -3.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6606 -5.7540 -1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7063 -4.9072 -3.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9453 -6.1278 -3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4095 -4.9961 0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8578 -4.1568 -0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5043 -5.7434 -1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 3.7679 -1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 -2.3747 1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3775 2.7498 2.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0607 2.2681 2.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8616 1.0630 2.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3004 3.6825 0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0002 3.2318 -0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8012 2.6346 -1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 3.4753 1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0121 -1.2178 -1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.8212 -3.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5701 -3.2753 4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3796 2.7274 -3.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1328 -3.1724 3.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8296 1.3725 -2.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 -2.9023 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3268 2.5663 1.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4202 -1.3249 -0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2204 1.5179 -0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3662 -2.1636 1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 21 1 0 0 0 0 2 21 2 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 4 17 1 0 0 0 0 4 20 1 0 0 0 0 4 53 1 0 0 0 0 5 11 1 0 0 0 0 5 20 2 0 0 0 0 6 13 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 12 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 14 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 16 2 0 0 0 0 12 18 1 0 0 0 0 12 24 2 0 0 0 0 13 16 1 0 0 0 0 14 19 1 0 0 0 0 14 28 2 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 49 1 0 0 0 0 16 52 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 22 1 0 0 0 0 18 31 2 0 0 0 0 19 23 1 0 0 0 0 19 32 2 0 0 0 0 22 33 1 0 0 0 0 22 37 2 0 0 0 0 23 34 1 0 0 0 0 23 38 2 0 0 0 0 24 35 1 0 0 0 0 24 63 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 36 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 39 1 0 0 0 0 31 71 1 0 0 0 0 32 40 1 0 0 0 0 32 72 1 0 0 0 0 33 35 2 0 0 0 0 33 73 1 0 0 0 0 34 36 2 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 36 76 1 0 0 0 0 37 41 1 0 0 0 0 37 77 1 0 0 0 0 38 42 1 0 0 0 0 38 78 1 0 0 0 0 39 41 2 0 0 0 0 39 79 1 0 0 0 0 40 42 2 0 0 0 0 40 80 1 0 0 0 0 41 81 1 0 0 0 0 42 82 1 0 0 0 0 M END $$$$