L3PHE2 -OEChem-05032301273D 78 81 0 0 0 0 0 0 0999 V2000 4.1180 -0.0263 -1.9979 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 2.3169 -2.1551 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9231 -3.0200 0.3763 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7440 2.3228 0.7174 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0702 0.9555 -0.8468 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8442 0.2214 1.2523 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8874 -1.3221 -0.4181 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2364 -2.4358 -0.6536 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6766 -3.6089 0.0061 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4831 0.9638 -0.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1498 2.1853 -1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6825 0.9762 0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6172 2.2882 -0.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1649 1.1193 1.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1463 2.4710 1.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.4774 2.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0464 1.6435 1.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1403 0.3409 3.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8233 1.7341 3.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2454 2.5525 2.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7490 3.7101 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3464 -0.1678 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2789 -0.1789 -0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3612 0.2445 -1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0739 -0.0855 -1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0086 -0.4318 -0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 -1.2769 -1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 1.1205 -1.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -0.0275 -1.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -1.2228 -1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 1.1457 -1.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0821 -2.3955 -0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0134 -3.8423 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 3.1258 -1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2374 -5.3060 0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6842 -5.6126 1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9659 0.0728 -0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6192 3.1019 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0849 2.1244 -2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2936 0.0569 1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1171 1.8046 1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1862 1.4517 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9824 3.2099 -1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7079 0.2169 1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1929 1.1639 2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7351 1.6032 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6044 1.8417 -0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6152 -0.4626 2.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1982 -1.5178 2.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3415 2.2825 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0674 1.9673 1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9486 0.3642 4.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2526 -0.0800 4.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7806 1.9885 3.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4609 2.4983 3.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2458 2.8866 2.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1016 1.5817 3.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5297 3.2689 3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7186 3.9486 0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9486 3.5661 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1102 4.5918 0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4593 -1.2590 -0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3376 0.2564 -0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 1.3330 -1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7668 -0.0337 -2.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5821 -0.1702 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1256 -1.5209 -1.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1371 2.0531 -1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7575 -2.1382 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 -4.3991 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 3.9991 -1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3847 3.4684 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9352 2.5737 -0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5962 -5.5603 1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9265 -5.9187 -0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3459 -5.3779 0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0164 -5.0259 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8019 -6.6733 1.2813 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 $$$$