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noname 0.0472 41 C17 9.9330 -3.3234 2.0636 C.3 1 noname 0.0482 42 C18 9.6447 -0.8661 5.9743 C.3 1 noname 0.0624 43 C19 9.6879 -4.5502 2.9870 C.3 1 noname 0.0755 44 C20 9.6397 -0.3532 7.4229 C.3 1 noname -0.0265 45 C21 10.9217 -5.4881 2.9360 C.3 1 noname -0.0256 46 C22 8.6358 -1.0414 8.3882 C.3 1 noname -0.0508 47 C23 10.7761 -6.8790 3.5803 C.3 1 noname -0.0508 48 C24 8.7578 -0.4181 9.7802 C.3 1 noname -0.0532 49 C25 12.0887 -7.6506 3.4298 C.3 1 noname -0.0532 50 C26 7.7691 -1.0959 10.7309 C.3 1 noname -0.0533 51 C27 11.9441 -9.0327 4.0700 C.3 1 noname -0.0533 52 C28 13.2567 -9.8043 3.9196 C.3 1 noname -0.0533 53 C29 7.8910 -0.4725 12.1229 C.3 1 noname -0.0533 54 C30 8.0733 -3.6757 4.6887 C.2 1 noname 0.1410 55 C31 13.1121 -11.1864 4.5598 C.3 1 noname -0.0533 56 C32 6.9023 -1.1503 13.0736 C.3 1 noname -0.0533 57 C33 7.0831 -3.5311 3.6255 C.3 1 noname 0.0337 58 C34 5.8587 -4.3899 3.9486 C.3 1 noname -0.0439 59 C35 14.4246 -11.9580 4.4093 C.3 1 noname -0.0533 60 C36 7.0243 -0.5270 14.4656 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1.9062 H 1 noname 0.0646 81 H4 10.8354 1.3956 -0.5991 H 1 noname 0.0656 82 H5 8.1987 3.0734 2.1935 H 1 noname 0.0645 83 H6 7.5969 -2.2268 0.8186 H 1 noname 0.0550 84 H7 6.9552 -4.6333 -0.9351 H 1 noname 0.0647 85 H8 7.7803 -2.0643 -2.2017 H 1 noname 0.0940 86 H9 4.9480 -3.6152 1.1124 H 1 noname 0.0670 87 H10 8.9957 -0.6282 0.1382 H 1 noname 0.0596 88 H11 9.2910 -0.1951 -1.5074 H 1 noname 0.0596 89 H12 3.9145 -2.5612 -1.2239 H 1 noname 0.0657 90 H13 5.9839 2.2400 2.6727 H 1 noname 0.0605 91 H14 7.0414 1.8385 4.0192 H 1 noname 0.0605 92 H15 9.6410 2.7048 4.0181 H 1 noname 0.1315 93 H16 9.3177 -3.3042 -1.2228 H 1 noname 0.1316 94 H17 3.7857 -1.4722 0.9643 H 1 noname 0.0591 95 H18 5.4298 -0.8359 0.7183 H 1 noname 0.0591 96 H19 12.0807 0.4081 0.9234 H 1 noname 0.2106 97 H20 10.0591 3.4789 -1.0349 H 1 noname 0.2106 98 H21 8.0286 -5.0482 1.0484 H 1 noname 0.2106 99 H22 10.5496 -0.8097 4.0225 H 1 noname 0.0388 100 H23 11.6392 -0.5238 5.4375 H 1 noname 0.0388 101 H24 9.2206 -2.5358 2.3091 H 1 noname 0.0388 102 H25 10.9219 -2.9885 2.3764 H 1 noname 0.0388 103 H26 9.8804 -1.9130 5.9544 H 1 noname 0.0605 104 H27 8.8773 -5.1178 2.5552 H 1 noname 0.0614 105 H28 3.7854 0.6480 0.0066 H 1 noname 0.2101 106 H29 9.4677 0.7231 7.4266 H 1 noname 0.0293 107 H30 10.6309 -0.5062 7.8498 H 1 noname 0.0293 108 H31 11.2514 -5.5988 1.9030 H 1 noname 0.0293 109 H32 11.7604 -4.9774 3.4091 H 1 noname 0.0293 110 H33 7.6207 -0.9032 8.0159 H 1 noname 0.0267 111 H34 8.8596 -2.1066 8.4463 H 1 noname 0.0267 112 H35 9.9740 -7.4265 3.0854 H 1 noname 0.0267 113 H36 10.5401 -6.7663 4.6384 H 1 noname 0.0267 114 H37 8.5340 0.6471 9.7221 H 1 noname 0.0266 115 H38 9.7728 -0.5563 10.1525 H 1 noname 0.0266 116 H39 12.3247 -7.7632 2.3717 H 1 noname 0.0266 117 H40 12.8908 -7.1031 3.9247 H 1 noname 0.0266 118 H41 5.4498 -7.6850 1.1659 H 1 noname 0.2283 119 H42 2.6179 -6.7549 -0.8900 H 1 noname 0.2283 120 H43 8.2850 -1.0797 4.5757 H 1 noname 0.2104 121 H44 6.7540 -0.9577 10.3586 H 1 noname 0.0266 122 H45 7.9929 -2.1611 10.7890 H 1 noname 0.0266 123 H46 11.1420 -9.5802 3.5751 H 1 noname 0.0266 124 H47 11.7081 -8.9200 5.1282 H 1 noname 0.0266 125 H48 4.0936 -1.8254 4.1775 H 1 noname 0.2283 126 H49 3.2007 0.5703 3.8588 H 1 noname 0.2283 127 H50 13.4927 -9.9169 2.8614 H 1 noname 0.0266 128 H51 14.0588 -9.2568 4.4144 H 1 noname 0.0266 129 H52 7.6672 0.5927 12.0648 H 1 noname 0.0266 130 H53 8.9061 -0.6108 12.4952 H 1 noname 0.0266 131 H54 12.3099 -11.7339 4.0649 H 1 noname 0.0266 132 H55 12.8761 -11.0737 5.6179 H 1 noname 0.0266 133 H56 5.8873 -1.0121 12.7013 H 1 noname 0.0266 134 H57 7.1262 -2.2155 13.1317 H 1 noname 0.0266 135 H58 6.7836 -2.4860 3.5477 H 1 noname 0.0372 136 H59 7.5157 -3.8565 2.6794 H 1 noname 0.0372 137 H60 14.6607 -12.0706 3.3511 H 1 noname 0.0266 138 H61 15.2268 -11.4105 4.9042 H 1 noname 0.0266 139 H62 5.1195 -4.2819 3.1549 H 1 noname 0.0272 140 H63 5.4262 -4.0645 4.8947 H 1 noname 0.0272 141 H64 6.8005 0.5382 14.4075 H 1 noname 0.0266 142 H65 8.0394 -0.6652 14.8379 H 1 noname 0.0266 143 H66 6.7118 -6.1823 3.1118 H 1 noname 0.0267 144 H67 7.0184 -5.9649 4.8516 H 1 noname 0.0267 145 H68 13.4779 -13.8876 4.5546 H 1 noname 0.0266 146 H69 14.0440 -13.2274 6.1077 H 1 noname 0.0266 147 H70 5.0206 -1.0666 15.0440 H 1 noname 0.0266 148 H71 6.2594 -2.2700 15.4744 H 1 noname 0.0266 149 H72 4.3156 -6.6077 3.5872 H 1 noname 0.0266 150 H73 4.6222 -6.3902 5.3270 H 1 noname 0.0266 151 H74 5.9079 -8.5081 3.5441 H 1 noname 0.0266 152 H75 6.2145 -8.2906 5.2839 H 1 noname 0.0266 153 H76 15.8286 -14.2243 3.8409 H 1 noname 0.0266 154 H77 16.3947 -13.5642 5.3939 H 1 noname 0.0266 155 H78 5.9338 0.4837 16.7502 H 1 noname 0.0266 156 H79 7.1727 -0.7197 17.1806 H 1 noname 0.0266 157 H80 3.5117 -8.9334 4.0196 H 1 noname 0.0266 158 H81 3.8183 -8.7160 5.7594 H 1 noname 0.0266 159 H82 5.1040 -10.8338 3.9764 H 1 noname 0.0266 160 H83 5.4106 -10.6164 5.7163 H 1 noname 0.0266 161 H84 14.6459 -16.0413 5.0444 H 1 noname 0.0264 162 H85 15.2120 -15.3811 6.5974 H 1 noname 0.0264 163 H86 4.1538 -1.1210 17.3867 H 1 noname 0.0264 164 H87 5.3927 -2.3245 17.8171 H 1 noname 0.0264 165 H88 2.7078 -11.2592 4.4519 H 1 noname 0.0266 166 H89 3.0144 -11.0418 6.1917 H 1 noname 0.0266 167 H90 4.3000 -13.1596 4.4088 H 1 noname 0.0266 168 H91 4.6067 -12.9422 6.1486 H 1 noname 0.0266 169 H92 16.6576 -17.2500 5.8449 H 1 noname 0.0230 170 H93 16.9966 -16.3780 4.3306 H 1 noname 0.0230 171 H94 17.5627 -15.7179 5.8837 H 1 noname 0.0230 172 H95 4.5865 -1.1188 19.8283 H 1 noname 0.0230 173 H96 5.0671 0.4293 19.0929 H 1 noname 0.0230 174 H97 6.3059 -0.7742 19.5233 H 1 noname 0.0230 175 H98 1.9039 -13.5850 4.8842 H 1 noname 0.0264 176 H99 2.2105 -13.3675 6.6240 H 1 noname 0.0264 177 H100 2.1913 -15.7717 6.0174 H 1 noname 0.0230 178 H101 3.4961 -15.4854 4.8411 H 1 noname 0.0230 179 H102 3.8027 -15.2679 6.5809 H 1 noname 0.0230 @BOND 1 1 8 1 2 1 15 1 3 1 16 1 4 1 18 2 5 2 10 1 6 2 19 1 7 2 20 1 8 2 21 2 9 3 26 1 10 3 29 1 11 32 4 1 12 4 34 1 13 5 32 1 14 5 35 1 15 27 6 1 16 6 96 1 17 28 7 1 18 7 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