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-14.1485 -12.4460 -18.2790 O.2 1 noname -0.1686 20 O16 -10.9434 -1.9465 -19.9331 O.2 1 noname -0.1686 21 N1 -8.4948 -6.2518 -11.5435 N.3 1 noname -0.0536 22 N2 -10.2604 -5.2290 -23.3381 N.3 1 noname -0.0536 23 N3 -6.7493 -5.7938 -20.2806 N.3 1 noname 0.0349 24 N4 -7.4726 -10.0863 -14.0044 N.3 1 noname 0.0349 25 N5 -8.0261 -8.2043 -12.7260 N.2 1 noname -0.2417 26 N6 -8.5515 -5.4957 -21.7510 N.2 1 noname -0.2417 27 N7 -9.9724 -7.2877 -22.3236 N.2 1 noname -0.2417 28 N8 -9.4304 -6.5687 -13.6568 N.2 1 noname -0.2417 29 N9 -8.2548 -7.5827 -20.7569 N.2 1 noname -0.2413 30 N10 -8.9521 -8.5268 -14.8619 N.2 1 noname -0.2413 31 N11 -9.8714 -9.2607 -21.0928 N.3 1 noname 0.0356 32 N12 -10.1883 -6.8312 -15.8673 N.3 1 noname 0.0356 33 C1 -9.6519 -5.2995 -24.6081 C.3 1 noname 0.0293 34 C2 -11.5928 -5.6812 -23.4296 C.3 1 noname 0.0293 35 C3 -7.3950 -5.3897 -11.7316 C.3 1 noname 0.0293 36 C4 -9.6587 -5.4874 -11.3221 C.3 1 noname 0.0293 37 C5 -3.6679 -9.9756 -15.8284 C.2 1 noname 0.0169 38 C6 -3.7205 -7.9851 -18.2055 C.2 1 noname 0.0169 39 C7 -9.5928 -5.9920 -22.4857 C.2 1 noname 0.0946 40 C8 -8.6594 -7.0094 -12.6342 C.2 1 noname 0.0946 41 C9 -4.4518 -11.1348 -16.0036 C.2 1 noname 0.0300 42 C10 -3.4153 -6.9892 -19.1921 C.2 1 noname 0.0300 43 C11 -6.1732 -10.0680 -14.4162 C.2 1 noname -0.0066 44 C12 -5.8181 -6.4754 -19.5145 C.2 1 noname -0.0066 45 C13 -4.4549 -6.2556 -19.7939 C.2 1 noname 0.0290 46 C14 -5.7090 -11.1210 -15.2873 C.2 1 noname 0.0290 47 C15 -6.1320 -6.2192 -11.9718 C.3 1 noname 0.0564 48 C16 -10.8521 -6.4229 -11.1180 C.3 1 noname 0.0564 49 C17 -8.2061 -4.8089 -24.5089 C.3 1 noname 0.0564 50 C18 -12.3640 -4.7998 -24.4142 C.3 1 noname 0.0564 51 C19 -2.6875 -8.7937 -17.6453 C.2 1 noname -0.0266 52 C20 -2.6331 -9.6948 -16.6571 C.2 1 noname -0.0266 53 C21 -3.9859 -9.0244 -14.8362 C.2 1 noname -0.0275 54 C22 -5.1111 -8.1300 -17.8625 C.2 1 noname -0.0275 55 C23 -6.1321 -7.3981 -18.4998 C.2 1 noname -0.0149 56 C24 -5.2202 -9.0510 -14.1608 C.2 1 noname -0.0149 57 C25 -7.8556 -6.2940 -20.9027 C.2 1 noname 0.0951 58 C26 -8.1736 -8.9583 -13.8412 C.2 1 noname 0.0951 59 C27 -9.3217 -8.0809 -21.4351 C.2 1 noname 0.0951 60 C28 -9.5639 -7.3215 -14.7780 C.2 1 noname 0.0951 61 C29 -9.7776 -5.7462 -16.5991 C.2 1 noname -0.0018 62 C30 -10.6352 -9.4101 -19.9608 C.2 1 noname -0.0018 63 C31 -10.6155 -5.2551 -17.6237 C.2 1 noname 0.0269 64 C32 -11.1447 -10.6891 -19.6540 C.2 1 noname 0.0269 65 C33 -10.2450 -4.1499 -18.4088 C.2 1 noname 0.0253 66 C34 -11.9380 -10.8883 -18.4959 C.2 1 noname 0.0253 67 C35 -8.5493 -5.0801 -16.3694 C.2 1 noname -0.0171 68 C36 -10.9534 -8.3296 -19.1036 C.2 1 noname -0.0171 69 C37 -8.9560 -3.6062 -18.2713 C.2 1 noname 0.0032 70 C38 -12.2291 -9.8036 -17.6522 C.2 1 noname 0.0032 71 C39 -8.1362 -4.0345 -17.2137 C.2 1 noname -0.0337 72 C40 -11.7573 -8.5300 -17.9617 C.2 1 noname -0.0337 73 H1 -7.5787 -4.7494 -12.5944 H 1 noname 0.0459 74 H2 -7.2609 -4.7727 -10.8432 H 1 noname 0.0459 75 H3 -9.8424 -4.8471 -12.1849 H 1 noname 0.0459 76 H4 -9.6622 -6.3314 -24.9591 H 1 noname 0.0459 77 H5 -10.2013 -4.6717 -25.3096 H 1 noname 0.0459 78 H6 -11.6030 -6.7130 -23.7806 H 1 noname 0.0459 79 H7 -12.0632 -5.6267 -22.4478 H 1 noname 0.0459 80 H8 -9.5246 -4.8703 -10.4337 H 1 noname 0.0459 81 H9 -6.3706 -11.8970 -15.4618 H 1 noname 0.0656 82 H10 -4.2185 -5.5499 -20.4819 H 1 noname 0.0656 83 H11 -10.9861 -7.0400 -12.0064 H 1 noname 0.0577 84 H12 -11.8936 -4.8543 -25.3959 H 1 noname 0.0577 85 H13 -12.3537 -3.7680 -24.0632 H 1 noname 0.0577 86 H14 -7.6567 -5.4368 -23.8074 H 1 noname 0.0577 87 H15 -8.1959 -3.7770 -24.1579 H 1 noname 0.0577 88 H16 -10.6684 -7.0632 -10.2552 H 1 noname 0.0577 89 H17 -6.2661 -6.8363 -12.8603 H 1 noname 0.0577 90 H18 -5.9483 -6.8595 -11.1091 H 1 noname 0.0577 91 H19 -1.7924 -8.7403 -18.0410 H 1 noname 0.0629 92 H20 -1.7971 -10.2146 -16.4957 H 1 noname 0.0629 93 H21 -5.4594 -8.7653 -17.1624 H 1 noname 0.0630 94 H22 -3.3557 -8.2525 -14.6377 H 1 noname 0.0630 95 H23 -5.4394 -8.2688 -13.5158 H 1 noname 0.0639 96 H24 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-20.4450 H 1 noname 0.2388 116 H44 -11.7738 -14.4517 -18.6284 H 1 noname 0.2388 @BOND 1 1 9 1 2 1 11 2 3 1 12 2 4 1 41 1 5 2 10 1 6 2 13 2 7 2 14 2 8 2 42 1 9 3 15 1 10 3 17 2 11 3 20 2 12 3 65 1 13 4 16 1 14 4 18 2 15 4 19 2 16 4 66 1 17 5 47 1 18 5 101 1 19 6 48 1 20 6 103 1 21 7 49 1 22 7 104 1 23 8 50 1 24 8 102 1 25 9 113 1 26 10 114 1 27 15 115 1 28 16 116 1 29 21 35 1 30 21 36 1 31 21 40 1 32 22 33 1 33 22 34 1 34 22 39 1 35 23 44 1 36 23 57 1 37 23 98 1 38 24 43 1 39 24 58 1 40 24 97 1 41 25 40 1 42 25 58 2 43 26 39 1 44 26 57 2 45 27 39 2 46 27 59 1 47 28 40 2 48 28 60 1 49 29 57 1 50 29 59 2 51 30 58 1 52 30 60 2 53 31 59 1 54 31 62 1 55 31 100 1 56 32 60 1 57 32 61 1 58 32 99 1 59 33 49 1 60 33 76 1 61 33 77 1 62 34 50 1 63 34 78 1 64 34 79 1 65 35 47 1 66 35 73 1 67 35 74 1 68 36 48 1 69 36 75 1 70 36 80 1 71 37 41 2 72 37 52 1 73 37 53 1 74 38 42 2 75 38 51 1 76 38 54 1 77 41 46 1 78 42 45 1 79 43 46 2 80 43 56 1 81 44 45 2 82 44 55 1 83 45 82 1 84 46 81 1 85 47 89 1 86 47 90 1 87 48 83 1 88 48 88 1 89 49 86 1 90 49 87 1 91 50 84 1 92 50 85 1 93 51 52 2 94 51 91 1 95 52 92 1 96 53 56 2 97 53 94 1 98 54 55 2 99 54 93 1 100 55 96 1 101 56 95 1 102 61 63 2 103 61 67 1 104 62 64 2 105 62 68 1 106 63 65 1 107 63 105 1 108 64 66 1 109 64 106 1 110 65 69 2 111 66 70 2 112 67 71 2 113 67 107 1 114 68 72 2 115 68 108 1 116 69 71 1 117 69 110 1 118 70 72 1 119 70 109 1 120 71 111 1 121 72 112 1 @SUBSTRUCTURE 1 noname 1