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noname -0.2871 20 O15 -4.7652 27.8939 4.1247 O.3 1 noname -0.1485 21 O16 -3.8614 25.4402 4.6883 O.2 1 noname -0.1685 22 O17 -6.4213 25.7917 4.4064 O.2 1 noname -0.1685 23 N1 0.9614 20.1879 -7.0174 N.3 1 noname 0.0204 24 N2 0.1988 19.2615 -6.6472 N.2 1 noname -0.2463 25 N3 -3.7973 22.8352 -2.0450 N.3 1 noname 0.0161 26 N4 7.3256 16.6644 -16.7261 N.2 1 noname -0.1688 27 N5 3.9141 18.7897 -11.2436 N.2 1 noname -0.1738 28 N6 -4.2156 23.9269 -2.6558 N.2 1 noname -0.2592 29 N7 7.7848 16.8633 -15.6045 N.2 1 noname -0.1684 30 N8 4.9385 18.1357 -11.1999 N.2 1 noname -0.1684 31 C1 10.2482 16.5251 -18.9278 C.2 1 noname 0.0620 32 C2 9.6354 15.8895 -20.0659 C.2 1 noname 0.0567 33 C3 8.2273 15.6255 -20.0753 C.2 1 noname 0.0582 34 C4 1.3748 20.4369 -9.2854 C.2 1 noname 0.0053 35 C5 11.6488 16.8089 -18.8940 C.2 1 noname 0.0434 36 C6 2.1483 20.0536 -10.4090 C.2 1 noname 0.0324 37 C7 -1.9095 20.4711 -4.0347 C.2 1 noname 0.0012 38 C8 -2.7440 19.3302 -3.8764 C.2 1 noname -0.0159 39 C9 1.7239 19.9066 -8.0310 C.2 1 noname 0.0053 40 C10 9.4173 16.8524 -17.8368 C.2 1 noname 0.0616 41 C11 -1.4969 18.1837 -5.5711 C.2 1 noname 0.1463 42 C12 -0.6868 19.2895 -5.7340 C.2 1 noname 0.1205 43 C13 10.4866 15.5457 -21.1495 C.2 1 noname 0.0103 44 C14 7.4515 15.9153 -18.9335 C.2 1 noname 0.0793 45 C15 8.0544 16.4877 -17.8019 C.2 1 noname 0.0471 46 C16 0.2652 21.3048 -9.4443 C.2 1 noname 0.0437 47 C17 -0.8638 20.4439 -4.9604 C.2 1 noname 0.1116 48 C18 -2.5086 18.2132 -4.6788 C.2 1 noname 0.0439 49 C19 3.2278 19.1540 -10.2069 C.2 1 noname 0.0078 50 C20 -0.0752 21.8329 -10.6981 C.2 1 noname 0.0337 51 C21 12.4291 16.4933 -20.0223 C.2 1 noname 0.0273 52 C22 1.7946 20.5971 -11.6734 C.2 1 noname -0.0037 53 C23 -2.1726 21.6450 -3.3133 C.2 1 noname -0.0006 54 C24 2.7872 19.0181 -7.8330 C.2 1 noname -0.0270 55 C25 11.8577 15.8691 -21.1378 C.2 1 noname -0.0251 56 C26 -3.2749 21.6588 -2.4733 C.2 1 noname -0.0041 57 C27 -3.7909 19.3602 -2.9419 C.2 1 noname -0.0298 58 C28 3.5515 18.6487 -8.9249 C.2 1 noname 0.0012 59 C29 0.7043 21.4761 -11.8083 C.2 1 noname 0.0310 60 C30 -4.0404 20.5132 -2.2005 C.2 1 noname -0.0235 61 C31 -4.7438 25.1677 -0.6217 C.2 1 noname 0.0183 62 C32 7.7408 17.1084 -13.2391 C.2 1 noname 0.0151 63 C33 6.9728 17.4244 -12.0784 C.2 1 noname 0.0152 64 C34 -5.1866 26.4685 -0.2365 C.2 1 noname 0.0170 65 C35 7.1011 17.1052 -14.5118 C.2 1 noname 0.0321 66 C36 5.6072 17.7557 -12.2421 C.2 1 noname 0.0321 67 C37 -4.7216 24.9193 -2.0389 C.2 1 noname 0.0703 68 C38 -5.2280 26.8084 1.1391 C.2 1 noname 0.0408 69 C39 -4.8866 25.8753 2.1400 C.2 1 noname 0.0422 70 C40 -4.3443 24.2872 0.4425 C.2 1 noname 0.0036 71 C41 5.7260 17.3997 -14.6249 C.2 1 noname 0.0151 72 C42 4.9802 17.7109 -13.5028 C.2 1 noname 0.0151 73 C43 -5.5786 27.4039 -1.1982 C.2 1 noname -0.0082 74 C44 9.1197 16.8162 -13.0728 C.2 1 noname -0.0305 75 C45 7.5954 17.4259 -10.8013 C.2 1 noname -0.0305 76 C46 -4.4535 24.6043 1.7809 C.2 1 noname 0.0305 77 C47 -5.3118 25.8338 -2.9285 C.2 1 noname 0.1018 78 C48 -5.6656 27.0895 -2.5008 C.2 1 noname 0.0409 79 C49 9.7200 16.8249 -11.8012 C.2 1 noname -0.0538 80 C50 8.9580 17.1288 -10.6654 C.2 1 noname -0.0538 81 H1 9.8005 17.3614 -17.0373 H 1 noname 0.0653 82 H2 10.1214 15.0549 -21.9682 H 1 noname 0.0629 83 H3 6.4421 15.6872 -18.9168 H 1 noname 0.0663 84 H4 -0.3044 21.5677 -8.6396 H 1 noname 0.0646 85 H5 -3.1358 17.4502 -4.6113 H 1 noname 0.0647 86 H6 13.4315 16.7248 -20.0452 H 1 noname 0.0640 87 H7 2.3297 20.3598 -12.5123 H 1 noname 0.0630 88 H8 -1.6299 22.5144 -3.4061 H 1 noname 0.0647 89 H9 2.9887 18.6332 -6.9068 H 1 noname 0.0640 90 H10 12.4493 15.6585 -21.9459 H 1 noname 0.0623 91 H11 -4.4121 18.5522 -2.8188 H 1 noname 0.0629 92 H12 4.3368 18.0091 -8.7624 H 1 noname 0.0646 93 H13 0.4779 21.8532 -12.7314 H 1 noname 0.0640 94 H14 0.8747 21.1147 -6.7308 H 1 noname 0.1559 95 H15 -4.8260 20.5428 -1.5389 H 1 noname 0.0640 96 H16 -4.0717 22.7160 -1.1201 H 1 noname 0.1559 97 H17 -5.5118 27.7292 1.4113 H 1 noname 0.0646 98 H18 -3.9436 23.3435 0.3568 H 1 noname 0.0630 99 H19 5.2474 17.4098 -15.5280 H 1 noname 0.0646 100 H20 3.9830 17.9151 -13.6245 H 1 noname 0.0646 101 H21 -5.8142 28.3338 -0.9368 H 1 noname 0.0630 102 H22 9.7062 16.5922 -13.8778 H 1 noname 0.0629 103 H23 7.0669 17.6460 -9.9517 H 1 noname 0.0629 104 H24 -4.1874 23.8863 2.4734 H 1 noname 0.0640 105 H25 -5.9969 27.7359 -3.1661 H 1 noname 0.0664 106 H26 5.4468 16.0560 -21.2540 H 1 noname 0.2388 107 H27 10.7155 16.6091 -11.7039 H 1 noname 0.0622 108 H28 9.3895 17.1387 -9.7375 H 1 noname 0.0622 109 H29 14.4065 16.4018 -17.6743 H 1 noname 0.2388 110 H30 -0.8052 15.0213 -5.1864 H 1 noname 0.2388 111 H31 -2.5907 23.8950 -9.1730 H 1 noname 0.2388 112 H32 -3.8076 28.0933 4.1843 H 1 noname 0.2388 @BOND 1 1 6 1 2 1 9 2 3 1 10 2 4 1 33 1 5 2 7 1 6 2 12 2 7 2 13 2 8 2 35 1 9 3 11 1 10 3 15 2 11 3 16 2 12 3 41 1 13 4 14 1 14 4 17 2 15 4 18 2 16 4 50 1 17 5 20 1 18 5 21 2 19 5 22 2 20 5 69 1 21 6 106 1 22 7 109 1 23 8 47 2 24 11 110 1 25 14 111 1 26 19 77 2 27 20 112 1 28 23 24 1 29 23 39 1 30 23 94 1 31 24 42 2 32 25 28 1 33 25 56 1 34 25 96 1 35 26 29 2 36 26 45 1 37 27 30 2 38 27 49 1 39 28 67 2 40 29 65 1 41 30 66 1 42 31 32 2 43 31 35 1 44 31 40 1 45 32 33 1 46 32 43 1 47 33 44 2 48 34 36 1 49 34 39 2 50 34 46 1 51 35 51 2 52 36 49 2 53 36 52 1 54 37 38 2 55 37 47 1 56 37 53 1 57 38 48 1 58 38 57 1 59 39 54 1 60 40 45 2 61 40 81 1 62 41 42 1 63 41 48 2 64 42 47 1 65 43 55 2 66 43 82 1 67 44 45 1 68 44 83 1 69 46 50 2 70 46 84 1 71 48 85 1 72 49 58 1 73 50 59 1 74 51 55 1 75 51 86 1 76 52 59 2 77 52 87 1 78 53 56 2 79 53 88 1 80 54 58 2 81 54 89 1 82 55 90 1 83 56 60 1 84 57 60 2 85 57 91 1 86 58 92 1 87 59 93 1 88 60 95 1 89 61 64 2 90 61 67 1 91 61 70 1 92 62 63 1 93 62 65 1 94 62 74 2 95 63 66 1 96 63 75 2 97 64 68 1 98 64 73 1 99 65 71 2 100 66 72 2 101 67 77 1 102 68 69 2 103 68 97 1 104 69 76 1 105 70 76 2 106 70 98 1 107 71 72 1 108 71 99 1 109 72 100 1 110 73 78 2 111 73 101 1 112 74 79 1 113 74 102 1 114 75 80 1 115 75 103 1 116 76 104 1 117 77 78 1 118 78 105 1 119 79 80 2 120 79 107 1 121 80 108 1 @SUBSTRUCTURE 1 noname 1