B6IGR3 -OEChem-04022116543D 56 58 0 1 0 0 0 0 0999 V2000 3.5206 -1.5266 0.6893 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8117 2.2212 0.5898 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3969 -3.1459 -0.3788 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0468 -2.8178 0.2862 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -1.2669 2.0943 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0854 1.4197 0.0607 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 -1.1750 -0.2267 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.7593 1.5703 -1.6557 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9930 0.9466 -1.2427 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9302 1.9027 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 0.1681 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0812 1.9012 -1.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2649 1.4500 1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8312 0.5770 -1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 0.1255 1.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1641 1.0576 -0.4178 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2160 1.0857 0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0767 -2.2394 -0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4558 0.2822 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6615 -0.2947 0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7025 0.9062 0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3525 -1.0867 0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 0.6725 0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 -0.0772 -1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4961 -1.8315 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8462 0.1615 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 1.0432 2.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8035 -0.8222 -2.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7429 -1.2073 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2578 2.9423 0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 0.9103 0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3558 2.1906 -2.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8257 2.6824 -1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4689 2.2180 1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9606 1.4094 2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6049 0.6866 -2.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1365 -0.1701 -1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2664 -0.6617 0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -0.0827 2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8693 0.0190 -0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8142 0.6587 1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4812 2.1248 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1684 1.3340 -2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 1.1054 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8231 -2.6435 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1554 -1.9383 -0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4994 -3.0533 -0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3912 -1.5913 0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8167 0.6476 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5719 0.1978 2.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 1.8726 2.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2638 1.3559 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7487 -0.6890 -2.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3998 -0.4858 -3.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9925 -1.8922 -2.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6331 -1.7875 -0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 3 25 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 8 16 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 24 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 26 1 0 0 0 0 22 25 2 0 0 0 0 22 48 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 26 29 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 M END $$$$