B3JT1A -OEChem-04012115193D 72 77 0 1 0 0 0 0 0999 V2000 1.9928 -2.3017 2.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4663 1.1268 -0.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4078 -2.5577 -1.8365 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5903 -3.8015 -0.2678 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 1.4074 -0.2293 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3709 2.1920 -0.0273 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6555 -2.3054 3.9004 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6851 3.4822 -0.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2165 3.2920 0.3472 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8315 -2.0703 -0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -2.8493 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7468 -0.9640 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 -3.6137 -1.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3434 -2.7114 1.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7313 -2.1381 -3.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 0.3503 -0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0318 -4.2852 -2.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1143 -1.2092 -0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1873 -2.7754 -4.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7227 -3.8841 -3.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4712 1.1302 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9996 -0.1475 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7397 -2.4434 2.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5933 -2.8465 2.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3851 3.5262 0.1965 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7698 2.1366 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 0.7173 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7201 -2.7114 3.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3096 2.1102 -0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4938 2.5841 0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6039 1.3918 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5689 3.9095 1.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1388 2.2157 0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5754 -2.4434 4.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7607 1.2817 -1.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6512 2.4970 -0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 0.9258 -1.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2233 1.0254 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0599 3.4080 1.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5317 3.6073 -1.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5912 2.0430 -1.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4056 3.7264 1.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 -2.0277 2.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4145 -1.3066 -3.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7118 -5.1130 -2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5063 -2.2207 -0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4065 -2.4875 -5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1488 -4.3823 -4.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0424 -0.4164 -0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 -3.0807 1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7391 4.2814 -0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 3.1055 0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6834 -2.8181 4.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0185 4.9034 1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2062 3.1896 2.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6031 3.9237 2.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2650 4.2544 -0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 2.5759 1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 -2.3304 5.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3581 0.8974 -2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0081 0.2827 -2.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 3.7962 2.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9404 2.7898 -2.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0716 4.5619 -2.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5190 3.5683 -2.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2591 2.3948 -2.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 2.4444 -1.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6735 0.9514 -1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8806 4.3625 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9765 -1.9427 2.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1781 -2.8460 3.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8912 -1.0751 3.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 43 1 0 0 0 0 2 26 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 11 1 0 0 0 0 4 13 2 0 0 0 0 5 16 1 0 0 0 0 5 21 2 0 0 0 0 6 21 1 0 0 0 0 6 26 1 0 0 0 0 6 52 1 0 0 0 0 7 23 1 0 0 0 0 7 34 2 0 0 0 0 8 25 1 0 0 0 0 8 40 1 0 0 0 0 8 57 1 0 0 0 0 9 36 2 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 17 1 0 0 0 0 14 23 2 0 0 0 0 14 24 1 0 0 0 0 15 19 2 0 0 0 0 15 44 1 0 0 0 0 16 27 1 0 0 0 0 17 20 2 0 0 0 0 17 45 1 0 0 0 0 18 22 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 49 1 0 0 0 0 24 28 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 32 1 0 0 0 0 25 51 1 0 0 0 0 27 38 3 0 0 0 0 28 34 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 35 1 0 0 0 0 29 36 1 0 0 0 0 30 33 1 0 0 0 0 30 39 1 0 0 0 0 31 33 2 0 0 0 0 31 37 1 0 0 0 0 31 38 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 35 37 2 0 0 0 0 35 60 1 0 0 0 0 36 41 1 0 0 0 0 37 61 1 0 0 0 0 39 42 2 0 0 0 0 39 62 1 0 0 0 0 40 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 42 69 1 0 0 0 0 43 70 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 M END $$$$