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1 mol 18 unq 0 iso 1 dist 8.51213 11.3758 7.3094 11.0081 9.51761 9.70492 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.80849 13.9888 8.86116 10.1696 8.38394 6.44287 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 6.80849 10.1696 8.38394 13.9888 8.86116 6.44287 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.00307 7.95074 7.57578 10.3928 7.17969 4.33106 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 6.00307 10.3928 7.17969 7.95074 7.57578 4.33106 numMergedOcc 0
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7 mol 41 unq 0 iso 1 dist 7.07587 9.78914 8.2183 11.8001 7.99312 5.36342 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.47617 15.1595 8.80331 8.14351 6.20293 8.13395 numMergedOcc 0
9 mol 43 unq 0 iso 1 dist 8.47617 8.14351 6.20293 15.1595 8.80331 8.13395 numMergedOcc 0
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11 mol 54 unq 0 iso 1 dist 6.13476 10.0565 6.83299 13.1047 9.5589 5.08001 numMergedOcc 0
12 mol 54 unq 1 iso 0 dist 6.13476 13.1047 9.5589 5.77448 8.10861 16.3192 numMergedOcc 0
13 mol 54 unq 1 iso 1 dist 6.13476 5.77448 8.10861 13.1047 9.5589 16.3192 numMergedOcc 0
14 mol 54 unq 1 iso 0 dist 6.13476 10.0565 6.83299 5.77448 8.10861 14.2075 numMergedOcc 0
15 mol 54 unq 1 iso 1 dist 6.13476 5.77448 8.10861 10.0565 6.83299 14.2075 numMergedOcc 0
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18 mol 60 unq 1 iso 0 dist 8.46609 4.72836 6.65595 12.4802 6.43294 10.6819 numMergedOcc 0
19 mol 60 unq 1 iso 1 dist 8.46609 12.4802 6.43294 4.72836 6.65595 10.6819 numMergedOcc 0
20 mol 60 unq 2 iso 0 dist 8.46609 4.72836 6.65595 11.7276 8.52121 8.93946 numMergedOcc 0
21 mol 60 unq 2 iso 1 dist 8.46609 11.7276 8.52121 4.72836 6.65595 8.93946 numMergedOcc 0
22 mol 60 unq 1 iso 0 dist 8.46609 9.1013 9.25011 12.4802 6.43294 11.3621 numMergedOcc 0
23 mol 60 unq 1 iso 1 dist 8.46609 12.4802 6.43294 9.1013 9.25011 11.3621 numMergedOcc 0
24 mol 60 unq 2 iso 0 dist 8.46609 9.1013 9.25011 11.7276 8.52121 7.66664 numMergedOcc 0
25 mol 60 unq 2 iso 1 dist 8.46609 11.7276 8.52121 9.1013 9.25011 7.66664 numMergedOcc 0
26 mol 60 unq 2 iso 0 dist 8.46609 12.4802 6.43294 11.7276 8.52121 5.51199 numMergedOcc 0
27 mol 60 unq 2 iso 1 dist 8.46609 11.7276 8.52121 12.4802 6.43294 5.51199 numMergedOcc 0
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29 mol 75 unq 0 iso 1 dist 8.64872 12.0967 8.56639 10.4239 7.79912 5.64643 numMergedOcc 0
30 mol 75 unq 1 iso 0 dist 8.64872 10.4239 7.79912 9.60759 8.59017 10.4899 numMergedOcc 0
31 mol 75 unq 1 iso 1 dist 8.64872 9.60759 8.59017 10.4239 7.79912 10.4899 numMergedOcc 0
32 mol 75 unq 1 iso 0 dist 8.64872 12.0967 8.56639 9.60759 8.59017 7.00674 numMergedOcc 0
33 mol 75 unq 1 iso 1 dist 8.64872 9.60759 8.59017 12.0967 8.56639 7.00674 numMergedOcc 0
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35 mol 95 unq 0 iso 1 dist 8.55238 10.7376 9.01083 7.30086 7.88289 8.18643 numMergedOcc 0
36 mol 95 unq 1 iso 0 dist 9.85406 10.2242 7.88289 16.7843 9.01083 8.18643 numMergedOcc 0
37 mol 95 unq 1 iso 1 dist 9.85406 16.7843 9.01083 10.2242 7.88289 8.18643 numMergedOcc 0
38 mol 95 unq 2 iso 0 dist 5.76199 5.58096 7.88289 11.5715 9.01083 8.18643 numMergedOcc 0
39 mol 95 unq 2 iso 1 dist 5.76199 11.5715 9.01083 5.58096 7.88289 8.18643 numMergedOcc 0
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41 mol 95 unq 3 iso 1 dist 9.88504 4.3433 7.2658 4.12027 9.01083 5.53837 numMergedOcc 0
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43 mol 95 unq 4 iso 1 dist 8.13273 6.68919 8.83255 6.56354 9.03572 6.59319 numMergedOcc 0
44 mol 95 unq 5 iso 0 dist 8.13273 6.56354 9.03572 14.1434 8.03644 16.6055 numMergedOcc 0
45 mol 95 unq 5 iso 1 dist 8.13273 14.1434 8.03644 6.56354 9.03572 16.6055 numMergedOcc 0
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47 mol 95 unq 5 iso 1 dist 8.13273 14.1434 8.03644 6.68919 8.83255 13.8105 numMergedOcc 0
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50 mol 98 unq 1 iso 0 dist 4.31067 9.04817 5.08437 6.21302 6.10456 8.40073 numMergedOcc 0
51 mol 98 unq 1 iso 1 dist 4.31067 6.21302 6.10456 9.04817 5.08437 8.40073 numMergedOcc 0
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53 mol 98 unq 1 iso 1 dist 4.31067 6.21302 6.10456 4.70157 6.48948 9.42358 numMergedOcc 0
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55 mol 115 unq 0 iso 1 dist 5.11612 6.86762 5.83991 10.3475 9.33865 7.69052 numMergedOcc 0
56 mol 115 unq 1 iso 0 dist 5.22628 10.0419 9.33865 6.8104 6.11741 8.02349 numMergedOcc 0
57 mol 115 unq 1 iso 1 dist 5.22628 6.8104 6.11741 10.0419 9.33865 8.02349 numMergedOcc 0
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59 mol 120 unq 0 iso 1 dist 8.20009 5.6257 6.44653 10.7527 8.75408 5.23036 numMergedOcc 0
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61 mol 120 unq 1 iso 1 dist 8.14799 5.0256 6.44653 9.8469 8.75408 5.23036 numMergedOcc 0
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101 mol 178 unq 5 iso 1 dist 8.63718 4.92895 8.81551 11.5509 6.69288 14.0703 numMergedOcc 0
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129 mol 234 unq 1 iso 1 dist 6.15754 12.4455 6.56247 11.8245 8.34494 6.29886 numMergedOcc 0
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171 mol 259 unq 3 iso 1 dist 6.20344 9.55719 9.18903 10.3156 7.46176 10.5239 numMergedOcc 0
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175 mol 261 unq 1 iso 1 dist 6.85589 4.31412 8.43057 5.85483 7.73141 10.1239 numMergedOcc 0
