B9CJE2 -OEChem-04022113213D 68 72 0 1 0 0 0 0 0999 V2000 -2.4040 -3.5151 0.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 3.3536 -0.2144 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9390 1.5650 -1.6643 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0851 0.6239 1.2318 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3674 1.5088 2.4756 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6939 0.0108 -0.2857 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1772 -0.2309 0.2107 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2901 -2.4612 0.1392 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7722 -1.0585 0.4369 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2299 0.8913 -0.1370 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6444 -1.6715 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7195 -2.7106 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2588 1.4393 0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6245 -3.3896 -0.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6377 2.2814 0.2459 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2357 2.5238 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5202 -0.1328 -1.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7109 0.8740 -1.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 -0.8375 0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5055 0.6731 0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4397 -0.5427 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9642 -0.3308 0.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7974 -0.9854 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 0.6994 1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 -0.4239 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 -0.8127 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 -0.1866 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5914 -0.5878 -0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9302 0.0080 -0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0660 1.2926 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0618 -0.7124 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3337 1.8569 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3295 -0.1481 -0.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4653 1.1363 -0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1084 -0.1939 1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9448 -0.9248 1.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6822 -1.8346 -1.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6549 -1.8493 0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8121 -2.6666 1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0435 -3.7138 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2714 1.6802 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1568 1.4860 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2242 -4.1519 -1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8071 -3.0276 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5986 2.3583 1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8711 3.4953 0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2572 2.6207 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 -1.1231 -2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4815 0.0365 -2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 0.5930 -2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0161 1.3692 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8894 -0.1417 -1.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9248 -0.9343 -0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0947 -0.1843 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2379 0.4902 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1657 1.5482 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0778 4.1838 0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7982 -0.4193 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2371 1.5443 -2.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5477 -1.8154 -0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -1.6412 -1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5346 0.6246 0.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5280 -1.4217 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2138 1.8993 0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9750 -1.7152 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4400 2.8590 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2107 -0.7089 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4521 1.5760 -0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 57 1 0 0 0 0 3 18 1 0 0 0 0 3 59 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 19 1 0 0 0 0 9 36 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 21 2 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 60 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 27 28 2 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 64 1 0 0 0 0 31 33 2 0 0 0 0 31 65 1 0 0 0 0 32 34 2 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 M END $$$$