L3PHE2 -OEChem-05032301042D 78 81 0 0 0 0 0 0 0999 V2000 5.3018 0.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3018 -1.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 2.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4300 -3.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8320 -2.1187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 3.9121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 -0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8320 0.8813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5640 0.8813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 -2.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5640 -2.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 -3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4300 -2.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5640 -4.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2961 -4.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 4.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 3.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 5.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2961 -5.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1621 -3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 3.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8320 -1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4416 2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9659 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3057 1.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9659 0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0720 -1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1659 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0720 0.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1659 -0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5640 1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3057 -2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4300 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4300 3.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1611 -2.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9625 -1.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1655 -1.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -3.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4859 -4.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0406 -2.7264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6421 -2.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1655 -4.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9625 -4.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7591 -4.4287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2950 -2.4287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1007 4.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 5.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 3.1464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 2.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6972 5.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 5.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 4.6210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 3.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6761 -5.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2961 -5.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9161 -5.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4721 -4.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6990 -3.3087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8521 -3.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0556 3.2988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6598 3.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8314 2.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2273 1.8270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 1.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5200 2.4872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -1.7733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 1.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1010 0.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6857 -2.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3081 -2.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9257 -2.1404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6421 1.7987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0406 2.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 3.3813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4300 4.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8100 3.3813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 29 1 0 0 0 0 2 31 1 0 0 0 0 2 34 1 0 0 0 0 3 33 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 5 47 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 22 1 0 0 0 0 7 23 2 0 0 0 0 7 32 1 0 0 0 0 8 27 1 0 0 0 0 8 32 2 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 70 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 24 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 30 2 0 0 0 0 28 31 1 0 0 0 0 28 68 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 69 1 0 0 0 0 33 35 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 36 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 M END $$$$