BD8FA0 -OEChem-04012118452D 79 82 0 1 0 0 0 0 0999 V2000 14.0317 3.5257 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 0.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 0.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0102 3.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8255 4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2379 2.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 2.1627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -1.4060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -2.4060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -2.9060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -2.4060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -2.9129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -1.1013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -0.9060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -3.9545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -2.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -3.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -1.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -4.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -2.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 -0.1508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3433 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -1.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -2.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -3.9617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1642 0.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 1.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 1.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 2.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0532 3.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -3.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -3.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -1.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 -0.9694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 -0.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 -0.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -1.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -4.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -3.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -3.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -4.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -3.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -2.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.4913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -4.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -4.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -1.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -1.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 -0.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 -0.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 0.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -4.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -4.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -1.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -1.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -2.2914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -2.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -4.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 0.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 -0.5642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 -0.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 1.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 1.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 0.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 1.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 1.0933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3500 2.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7631 1.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3564 2.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0326 3.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4394 3.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2028 4.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 34 1 0 0 0 0 15 2 1 6 0 0 0 2 65 1 0 0 0 0 28 3 1 6 0 0 0 3 73 1 0 0 0 0 4 32 2 0 0 0 0 5 79 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 74 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 1 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 35 1 6 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 36 1 1 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 6 0 0 0 13 17 1 0 0 0 0 13 22 1 0 0 0 0 13 26 1 1 0 0 0 14 20 1 0 0 0 0 14 24 1 0 0 0 0 14 38 1 6 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 21 1 0 0 0 0 17 25 1 0 0 0 0 17 42 1 1 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 27 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 6 0 0 0 24 56 1 0 0 0 0 25 28 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 29 31 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 32 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 33 34 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 M END $$$$