BIG3H9 -OEChem-04012113313D 44 46 0 1 0 0 0 0 0999 V2000 3.9873 1.1940 -1.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1009 -4.3746 0.3456 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 1.2800 1.5511 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 0.2633 -1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3208 2.3373 1.9287 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6495 0.8827 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4644 1.3198 -1.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1961 -0.8573 -0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4944 -0.4937 -0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 0.3149 -1.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 1.6975 -0.3489 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3043 -2.1518 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3365 -1.4681 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0856 2.6565 -1.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7364 0.6881 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 -3.1014 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8496 -2.7670 0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 1.7369 1.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0339 2.0258 -0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3229 -0.3103 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9349 2.3718 0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 0.0356 1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 1.3766 1.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2379 -4.6567 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0162 -0.6641 -2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8285 1.0009 -2.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7258 2.7344 -0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3089 -2.3751 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3527 -1.2339 0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 3.2591 -0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9679 3.1959 -1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6025 2.6341 -2.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4997 -3.5185 0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6062 2.8128 -0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1167 -1.3600 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1693 0.2867 -0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1788 3.4154 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6912 -0.7394 1.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4564 2.7197 1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4655 2.4254 2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2335 1.6457 2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4285 -5.7100 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3683 -4.5407 -1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9639 -4.0698 0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 36 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 18 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 18 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 18 1 0 0 0 0 11 27 1 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$