B8VUQ4 -OEChem-04022102413D 40 42 0 0 0 0 0 0 0999 V2000 4.7198 -2.9971 -0.0965 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5721 -1.1744 -0.9211 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1988 1.1858 1.0962 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6988 -1.0157 0.3019 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4642 -2.3290 0.2474 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5587 0.0015 -0.0091 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2066 -0.6158 -0.1267 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1144 3.2872 0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3071 4.3766 -0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2243 3.1857 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9359 2.3794 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5848 0.0474 0.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 -1.0571 0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1915 -0.0080 0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -1.1680 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -2.2170 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3037 -2.2726 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9016 -1.2258 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3988 -1.8036 -0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9498 0.2510 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4367 1.5431 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8680 -0.7846 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8076 1.7569 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6425 0.6540 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3818 3.5166 1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5964 4.4584 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7067 5.3228 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2384 3.3323 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1282 2.4689 -1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7005 2.1486 -0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0665 2.8773 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 0.8514 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2435 -3.1082 -0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1751 -3.1865 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 0.8401 -0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 -1.9452 -1.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 2.3907 -0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 -1.8249 0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2097 2.7554 -0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7196 0.7672 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 19 1 0 0 0 0 5 18 2 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 6 35 1 0 0 0 0 7 22 1 0 0 0 0 7 24 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$