D0X3TI -OEChem-04152111212D 71 76 0 0 0 0 0 0 0999 V2000 7.9930 2.7104 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3742 -1.0316 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6476 -0.6772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0766 0.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 4.0152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.5152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 4.3199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 1.7831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9833 -0.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 4.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 4.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 4.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 3.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 3.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9130 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0766 2.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5821 -0.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9348 0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0766 4.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6258 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0766 0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2402 -1.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0766 2.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0766 4.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5766 3.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3447 -2.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5357 -3.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 -2.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6402 -4.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3628 -3.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3386 -1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5538 -4.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 2.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 3.0206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 4.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 4.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 2.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 2.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 4.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 3.3143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 4.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 4.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 5.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 2.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4387 1.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6807 1.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9132 1.1014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 0.5681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7666 4.9181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9566 1.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6474 -1.0889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2398 -0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3866 2.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3866 4.9181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1966 3.5152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9693 -2.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7599 -2.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1386 -4.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -4.1796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7490 -1.4367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1470 -2.2179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9283 -1.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6186 -5.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 24 1 0 0 0 0 2 30 1 0 0 0 0 3 28 1 0 0 0 0 3 39 1 0 0 0 0 4 29 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 17 2 0 0 0 0 6 19 1 0 0 0 0 7 18 1 0 0 0 0 7 20 2 0 0 0 0 8 23 1 0 0 0 0 8 29 1 0 0 0 0 8 58 1 0 0 0 0 9 26 1 0 0 0 0 9 30 2 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 21 27 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 31 2 0 0 0 0 24 26 2 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 29 1 0 0 0 0 27 32 1 0 0 0 0 27 57 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 62 1 0 0 0 0 33 63 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 64 1 0 0 0 0 36 38 2 0 0 0 0 36 65 1 0 0 0 0 37 40 2 0 0 0 0 37 66 1 0 0 0 0 38 40 1 0 0 0 0 38 67 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 40 71 1 0 0 0 0 M END $$$$