BRK12U -OEChem-04042102483D 77 80 0 1 0 0 0 0 0999 V2000 4.1035 -0.3280 1.5682 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5099 -2.5080 0.8457 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1839 -1.0385 2.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 0.0114 2.3201 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3049 -3.3101 -1.6525 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -3.6782 -1.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1047 -5.6204 1.7188 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6231 -4.4809 0.4688 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 -1.3320 -0.5407 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6646 -1.1720 0.1240 N 0 0 1 0 0 0 0 0 0 0 0 0 4.9340 -2.7848 -2.8466 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0815 3.6527 0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2464 4.7981 -0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4406 3.0136 0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2557 5.8357 -0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4451 4.0585 1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5996 5.1976 0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0735 2.6204 -0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9089 2.3966 0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3119 1.8951 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 0.7220 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 1.4473 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3858 0.9460 -1.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2308 -0.2919 -1.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 -1.6314 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4048 -0.7968 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1571 -2.1747 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7517 -1.4761 -0.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2035 -2.3486 -1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 -2.8042 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7758 1.1848 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2925 -3.1521 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2887 -3.6074 1.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 -3.7816 0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9435 2.2847 0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1381 1.2769 0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -2.7552 -1.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4736 3.4764 0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6681 2.4686 0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8358 3.5684 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4624 -4.6243 0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4018 4.8427 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6993 4.0994 1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2801 5.2870 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5815 4.4128 -1.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8584 2.5048 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3150 2.2466 1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3963 6.6032 -1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8572 6.3426 0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1149 4.4635 2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4177 3.5830 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0636 4.8148 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2759 5.9578 0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7078 2.9539 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2107 2.0544 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0781 1.2875 0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5829 0.3988 -2.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 -0.7495 -2.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 0.2610 -1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2065 0.2632 -0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -0.9583 -1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6999 -1.6448 -0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8752 -0.6435 -1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1955 -1.9186 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4614 -2.6409 1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -4.0602 2.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 2.2363 0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8044 0.4328 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 4.3269 0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7312 2.5282 -0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7186 5.4852 0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2647 4.6532 -1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 5.3832 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4712 -2.0178 -3.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7905 -3.5908 -3.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9718 -3.9272 -1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 -6.1827 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 1 31 1 0 0 0 0 2 25 2 0 0 0 0 5 32 1 0 0 0 0 5 76 1 0 0 0 0 6 37 2 0 0 0 0 7 41 1 0 0 0 0 7 77 1 0 0 0 0 8 41 2 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 27 1 0 0 0 0 10 26 1 0 0 0 0 10 28 1 0 0 0 0 11 37 1 0 0 0 0 11 74 1 0 0 0 0 11 75 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 17 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 54 1 0 0 0 0 20 23 2 0 0 0 0 20 55 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 26 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 37 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 32 1 0 0 0 0 29 64 1 0 0 0 0 30 33 2 0 0 0 0 30 65 1 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 66 1 0 0 0 0 34 41 1 0 0 0 0 35 38 1 0 0 0 0 35 67 1 0 0 0 0 36 39 2 0 0 0 0 36 68 1 0 0 0 0 38 40 2 0 0 0 0 38 69 1 0 0 0 0 39 40 1 0 0 0 0 39 70 1 0 0 0 0 40 42 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 M END $$$$