B8U7DQ -OEChem-04022112533D 57 58 0 1 0 0 0 0 0999 V2000 2.3864 3.9892 -0.1027 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0531 0.7464 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 -2.0702 -0.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2474 -4.1451 -1.3594 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -4.8596 0.3325 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6077 -0.8172 -1.3468 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0954 2.8566 -0.5792 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 -0.3353 0.6114 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0224 3.0984 -0.9425 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3475 -2.6162 -0.0816 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3676 1.7777 -2.2911 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4208 3.1987 -0.8534 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 3.6345 1.1455 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3099 3.2666 0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5861 2.4868 1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4867 4.4692 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1789 2.0445 0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9451 4.1239 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8733 0.7453 0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5347 -1.7028 0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7482 -2.5484 -0.4191 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2740 -3.9697 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2096 2.7355 -1.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -1.7456 -0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9207 -1.2448 -0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1869 -1.7326 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9652 -2.6971 -0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5854 -1.2220 1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1424 -3.1509 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7624 -1.6756 1.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 -2.6401 1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 4.4960 1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 2.4574 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1472 2.8945 1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 1.7210 2.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3912 2.8380 2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 5.2757 1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0305 4.8554 -0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4164 3.7680 1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4591 5.0369 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4218 -2.0975 1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -1.7257 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -0.1737 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 -2.1314 -1.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0374 -3.3318 0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0089 -1.2853 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7291 -0.2031 -0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6027 -5.0594 -1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5648 1.3377 -2.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2871 1.4761 -2.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4887 3.9065 -0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 2.8381 -1.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6641 -3.1040 -1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9867 -0.4712 1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7482 -3.9022 -0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0727 -1.2781 2.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4573 -2.9934 1.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 19 2 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 22 1 0 0 0 0 4 48 1 0 0 0 0 5 22 2 0 0 0 0 6 24 2 0 0 0 0 7 17 2 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 43 1 0 0 0 0 9 18 1 0 0 0 0 9 23 2 0 0 0 0 10 21 1 0 0 0 0 10 24 1 0 0 0 0 10 45 1 0 0 0 0 11 23 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 23 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 29 31 2 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 M END $$$$