B8PYW3 -OEChem-04022106073D 51 53 0 0 0 0 0 0 0999 V2000 -0.7332 -3.5538 -1.3786 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 1.2436 -0.0153 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -2.5745 2.3916 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7892 -0.1284 2.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 4.3147 0.6415 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5696 2.7795 -0.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -1.2990 -1.0129 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7615 -2.3023 -2.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3202 -1.8826 -2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8254 -0.2038 0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2449 -1.3619 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3037 -1.7216 -1.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4765 1.1076 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 -2.3577 -1.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4221 1.8171 0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0868 3.0819 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 -0.3028 1.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1956 1.6630 -1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6015 -2.6125 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 -2.4228 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9525 -0.4972 -1.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 3.6370 -0.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0402 3.8414 0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8605 2.9277 -1.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1206 -1.5535 2.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 0.0398 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6451 -1.8858 1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5394 -2.7082 1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3003 -0.6543 1.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3801 3.5695 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8324 -3.3973 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4033 -2.0012 -3.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -2.3283 -3.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2653 -0.7952 -2.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0776 -0.3662 -1.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8566 1.3858 1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2284 0.5860 1.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6425 -3.3866 0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 0.0422 -2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 1.1232 -1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2043 -3.5552 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5536 4.6206 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1237 3.5898 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1598 4.9179 0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4199 3.3597 -2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8509 -1.6283 2.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8184 -3.6814 1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 1.5800 -0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8943 -2.0573 3.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2066 0.7267 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 4.1361 0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 26 1 0 0 0 0 2 48 1 0 0 0 0 3 27 1 0 0 0 0 3 49 1 0 0 0 0 4 29 1 0 0 0 0 4 50 1 0 0 0 0 5 30 1 0 0 0 0 5 51 1 0 0 0 0 6 30 2 0 0 0 0 7 11 1 0 0 0 0 7 14 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 31 1 0 0 0 0 8 32 1 0 0 0 0 9 14 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 17 2 0 0 0 0 11 19 2 0 0 0 0 12 20 2 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 25 1 0 0 0 0 17 37 1 0 0 0 0 18 24 1 0 0 0 0 18 40 1 0 0 0 0 19 28 1 0 0 0 0 19 41 1 0 0 0 0 20 27 1 0 0 0 0 20 38 1 0 0 0 0 21 26 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 30 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 28 2 0 0 0 0 25 46 1 0 0 0 0 26 29 1 0 0 0 0 27 29 2 0 0 0 0 28 47 1 0 0 0 0 M END $$$$