LLA28J -OEChem-05032301282D 55 59 0 0 0 0 0 0 0999 V2000 3.5827 -0.8254 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 0.6746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9435 -1.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 0.1400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2380 -3.8340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.3771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2810 -3.6025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 1.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 2.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0631 -0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9233 -1.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9118 -2.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1914 -1.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0400 -2.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1798 -2.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6410 -3.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2254 -3.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6218 -2.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 4.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2618 -3.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1898 0.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5916 0.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5916 1.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1898 2.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4683 2.6883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6701 2.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4638 -1.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6581 -1.0337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6393 -2.6536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 -0.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -4.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -4.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 3.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 1.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 4.5428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 4.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 4.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0816 -4.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3827 -4.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8700 -3.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1410 -2.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 30 2 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 22 1 0 0 0 0 5 27 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 31 1 0 0 0 0 7 29 2 0 0 0 0 8 30 1 0 0 0 0 8 32 1 0 0 0 0 8 52 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 14 19 2 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 21 24 2 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M END $$$$