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17 mol 19 unq 4 iso 1 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 numMergedOcc 0
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23 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 numMergedOcc 0
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25 mol 19 unq 4 iso 1 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 numMergedOcc 0
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55 mol 58 unq 3 iso 1 dist 6.35756 6.62496 4.81926 9.58673 7.05413 10.2241 numMergedOcc 0
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59 mol 58 unq 5 iso 1 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 numMergedOcc 0
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63 mol 59 unq 1 iso 1 dist 8.84665 7.71095 12.5396 8.24062 11.0387 5.3525 numMergedOcc 0
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101 mol 100 unq 1 iso 1 dist 9.35224 9.60661 7.80879 6.58204 5.69137 10.9608 numMergedOcc 0
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103 mol 100 unq 1 iso 1 dist 9.35224 7.17106 8.87654 6.58204 5.69137 5.01145 numMergedOcc 0
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105 mol 100 unq 2 iso 1 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 numMergedOcc 0
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107 mol 100 unq 3 iso 1 dist 8.86688 6.45675 9.71151 8.72704 15.9331 7.2495 numMergedOcc 0
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109 mol 100 unq 3 iso 1 dist 8.86688 7.47343 10.1407 8.72704 15.9331 10.1589 numMergedOcc 0
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111 mol 100 unq 4 iso 1 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 numMergedOcc 0
112 mol 100 unq 5 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 numMergedOcc 0
113 mol 100 unq 5 iso 1 dist 6.56369 7.47343 12.6515 7.75343 5.69137 15.209 numMergedOcc 0
114 mol 100 unq 6 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 numMergedOcc 0
115 mol 100 unq 6 iso 1 dist 9.30209 7.47343 13.887 7.75343 9.21622 15.209 numMergedOcc 0
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117 mol 100 unq 5 iso 1 dist 6.56369 6.65086 7.80879 7.75343 5.69137 10.9608 numMergedOcc 0
118 mol 100 unq 6 iso 0 dist 6.65086 9.30209 5.38414 7.75343 10.9608 9.21622 numMergedOcc 0
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199 mol 178 unq 1 iso 1 dist 7.17202 6.69288 11.7381 8.96511 12.075 10.5783 numMergedOcc 0
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211 mol 181 unq 1 iso 1 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 numMergedOcc 0
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215 mol 181 unq 3 iso 1 dist 9.15386 9.1374 12.1628 6.71012 11.6919 4.77278 numMergedOcc 0
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218 mol 181 unq 3 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 numMergedOcc 0
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220 mol 181 unq 4 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 numMergedOcc 0
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233 mol 205 unq 1 iso 1 dist 7.80463 6.03031 8.18714 9.19704 13.231 8.66809 numMergedOcc 0
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235 mol 205 unq 1 iso 1 dist 7.80463 7.26832 13.8543 9.19704 13.231 6.23291 numMergedOcc 0
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239 mol 214 unq 1 iso 1 dist 7.14453 9.65138 9.10746 6.1175 5.06792 11.5712 numMergedOcc 0
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242 mol 214 unq 3 iso 0 dist 9.65138 8.85478 4.40923 6.1175 11.5712 12.8334 numMergedOcc 0
243 mol 214 unq 3 iso 1 dist 8.85478 9.65138 4.40923 6.1175 12.8334 11.5712 numMergedOcc 0
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245 mol 214 unq 2 iso 1 dist 8.85478 7.14453 11.3796 6.97182 8.47007 5.33565 numMergedOcc 0
246 mol 214 unq 3 iso 0 dist 7.14453 8.85478 11.3796 6.1175 5.06792 12.8334 numMergedOcc 0
247 mol 214 unq 3 iso 1 dist 8.85478 7.14453 11.3796 6.1175 12.8334 5.06792 numMergedOcc 0
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251 mol 220 unq 1 iso 1 dist 8.24498 9.23153 10.5449 6.99002 11.1321 15.9568 numMergedOcc 0
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255 mol 222 unq 1 iso 1 dist 7.21333 8.01589 13.3522 6.82208 12.2813 4.8892 numMergedOcc 0
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261 mol 224 unq 1 iso 1 dist 6.57273 8.95269 4.70378 6.87664 7.12232 7.98696 numMergedOcc 0
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263 mol 224 unq 2 iso 1 dist 5.78342 8.95269 11.5372 6.87664 5.3621 7.98696 numMergedOcc 0
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265 mol 224 unq 2 iso 1 dist 5.78342 6.57273 8.49799 6.87664 5.3621 7.12232 numMergedOcc 0
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273 mol 234 unq 1 iso 1 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 numMergedOcc 0
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275 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 numMergedOcc 0
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277 mol 234 unq 2 iso 1 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 numMergedOcc 0
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279 mol 234 unq 3 iso 1 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 numMergedOcc 0
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288 mol 236 unq 3 iso 0 dist 8.03456 9.99038 9.90963 6.68463 9.07822 8.8265 numMergedOcc 0
289 mol 236 unq 3 iso 1 dist 9.99038 8.03456 9.90963 6.68463 8.8265 9.07822 numMergedOcc 0
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291 mol 236 unq 4 iso 1 dist 9.78037 8.03456 6.96005 7.17676 12.6468 11.8759 numMergedOcc 0
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367 mol 282 unq 1 iso 1 dist 6.33524 8.76532 4.66602 8.8673 7.36881 8.14825 numMergedOcc 0
