B0AOD2 -OEChem-04022103443D 47 49 0 0 0 0 0 0 0999 V2000 1.2914 1.3623 -1.1422 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3453 -2.6238 -1.1823 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -2.5361 0.2897 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 -1.4223 1.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9853 1.2877 1.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5943 0.1466 -0.3061 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9011 -1.2260 -0.9151 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1657 -0.1362 -0.3408 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3291 2.8921 0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8746 1.4914 0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.9062 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5644 1.1135 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 3.5127 -0.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7229 2.0504 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0038 -0.1972 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7718 -0.2046 -0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6187 -1.3972 0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4799 -1.2344 -0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4197 -3.7656 0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5591 0.0425 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4553 -4.8925 0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4436 -0.4944 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9995 0.7498 0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8139 -0.3182 -0.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3698 0.9260 1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2769 0.3920 0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7054 0.5752 0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1565 3.2244 0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7124 2.8496 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6588 0.7789 0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7698 1.4676 1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8128 3.9688 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5409 4.9037 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 4.1150 -0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2971 3.7348 -1.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3247 -2.1452 -1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3778 -3.9535 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5777 -3.6927 1.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5937 0.5440 0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2715 -4.9630 -0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 -4.7081 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8473 -5.8495 0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1461 -0.9275 -2.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2999 1.1682 1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -0.7152 -1.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6867 1.4852 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9510 1.4050 1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 18 2 0 0 0 0 3 17 1 0 0 0 0 3 19 1 0 0 0 0 4 17 2 0 0 0 0 5 27 1 0 0 0 0 5 47 1 0 0 0 0 6 27 2 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 36 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$