marinedrugs-11-00817-s001.mol ChemDraw03251423372D 79 80 0 0 0 0 0 0 0 0999 V2000 -4.2847 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2847 0.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5702 0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8558 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5702 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1413 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 1.7428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4311 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2889 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5745 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7179 0.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7179 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0034 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0034 -0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7179 -0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4324 -0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4324 0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5745 -0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2889 -0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 -0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 -0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 -0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4311 -0.7322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 -0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1413 -0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5702 -0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8558 -0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0034 0.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1413 2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 1.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 1.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 0.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0034 2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4324 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1468 -0.7322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7179 -1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 -1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 0.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8558 -1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1536 -0.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8681 0.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 3.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 4.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4311 3.3928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5702 2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2847 3.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9992 2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7137 3.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4281 2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2847 4.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7137 4.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 -2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 -3.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7124 -2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7124 -2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 -2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4311 -3.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5745 -2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -3.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0034 -2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2889 -3.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4324 -2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7179 -3.3928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1468 -3.3928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4324 -2.1553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1468 -1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1468 -4.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4268 -3.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 5 1 0 5 1 1 0 6 7 1 0 7 4 1 0 8 9 1 0 9 6 1 0 10 11 1 0 11 8 1 0 12 13 1 0 13 10 1 0 14 15 1 0 15 12 1 0 16 17 1 0 17 18 1 0 18 14 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 16 1 0 23 24 1 0 24 19 2 0 25 26 1 0 26 23 2 0 28 25 1 0 29 30 1 0 30 27 1 0 31 32 1 0 32 29 2 0 3 33 1 0 33 34 1 0 34 31 2 0 16 35 1 6 7 36 1 6 9 37 1 6 11 38 1 6 13 39 1 6 12 40 1 6 18 41 1 1 17 42 1 6 21 43 1 6 20 44 1 1 26 45 1 0 25 46 2 0 27 28 1 1 30 47 1 6 34 48 1 0 33 49 1 1 2 50 1 6 11 51 1 0 51 52 1 0 52 53 1 0 53 9 1 0 52 54 1 1 51 55 1 6 5 56 1 1 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 57 61 2 0 59 62 2 0 63 64 1 0 64 65 1 0 65 66 1 0 27 66 1 0 67 68 1 0 68 63 1 0 69 70 1 0 70 67 2 0 71 72 1 0 72 69 1 0 73 74 1 0 74 71 1 0 73 75 1 0 73 76 2 0 76 77 1 0 75 78 1 0 65 79 1 1 M END