B3HJE7 -OEChem-04022116543D 64 67 0 1 0 0 0 0 0999 V2000 4.3522 2.3319 0.7188 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 -4.3095 0.8821 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8743 -3.2022 -0.9137 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9408 -3.2859 -0.2612 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8521 2.2624 2.0884 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4404 3.6081 0.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0554 2.8069 0.7792 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6741 -0.1113 -0.7405 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7027 1.7818 0.7031 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.2620 1.1790 -0.9006 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8785 2.1419 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 0.4671 1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2032 1.1358 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6713 -0.6724 0.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 0.3418 2.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4151 2.1019 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0901 0.2573 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9987 1.0606 -1.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4489 -1.9373 1.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5677 -0.7718 -1.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 -0.9231 3.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7722 -0.6964 -0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6810 0.1068 -2.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -2.0627 2.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6621 -3.1561 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6381 0.8512 -0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2973 -1.7917 -2.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1531 -0.1058 -1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 1.4848 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3507 0.2046 -0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5094 -0.4292 -1.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8358 1.1616 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4770 0.5749 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8870 0.0696 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7952 0.6847 -0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2894 -1.0159 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1058 0.2144 -0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5998 -1.4864 0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5080 -0.8712 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0826 3.1734 -0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1092 1.4945 -1.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9706 -0.5973 -0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8892 1.2241 3.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2663 0.2901 1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3242 1.7447 -2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4965 -1.0203 4.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4582 -1.3776 0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 0.0588 -3.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8469 -3.0384 2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 0.6642 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2805 -2.0073 -2.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4671 -1.4392 -3.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7202 -2.7209 -2.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5085 -0.6074 -2.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1543 2.2348 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9049 -1.1755 -2.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4302 1.6950 0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1115 0.3922 1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4787 1.6555 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4935 1.5297 -1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5909 -1.5056 1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8128 0.6929 -1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9130 -2.3321 1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5283 -1.2377 -0.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 7 16 2 0 0 0 0 8 30 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 10 26 1 0 0 0 0 10 50 1 0 0 0 0 11 16 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 14 42 1 0 0 0 0 15 21 1 0 0 0 0 15 43 1 0 0 0 0 17 22 1 0 0 0 0 17 44 1 0 0 0 0 18 23 2 0 0 0 0 18 45 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 20 27 1 0 0 0 0 21 24 2 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 31 1 0 0 0 0 28 54 1 0 0 0 0 29 32 2 0 0 0 0 29 55 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 60 1 0 0 0 0 36 38 2 0 0 0 0 36 61 1 0 0 0 0 37 39 2 0 0 0 0 37 62 1 0 0 0 0 38 39 1 0 0 0 0 38 63 1 0 0 0 0 39 64 1 0 0 0 0 M END $$$$