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3 mol 16 unq 0 iso 1 dist 9.76968 12.1754 7.63133 4.2139 6.31718 10.8455 numMergedOcc 0
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5 mol 16 unq 1 iso 1 dist 6.36377 5.48395 6.31718 4.78943 5.05803 6.92781 numMergedOcc 0
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7 mol 24 unq 0 iso 1 dist 9.54519 5.80023 7.36323 13.2653 5.54419 12.3067 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.11056 10.4744 8.86116 6.9756 8.38394 6.44287 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 6.11056 6.9756 8.38394 10.4744 8.86116 6.44287 numMergedOcc 0
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21 mol 54 unq 1 iso 1 dist 5.97635 13.2619 8.10861 10.7219 9.5589 16.3192 numMergedOcc 0
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23 mol 54 unq 1 iso 1 dist 5.97635 13.2619 8.10861 6.76462 6.83299 14.2075 numMergedOcc 0
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28 mol 75 unq 1 iso 0 dist 6.95595 12.7957 7.79912 5.80162 8.59017 10.4899 numMergedOcc 0
29 mol 75 unq 1 iso 1 dist 6.95595 5.80162 8.59017 12.7957 7.79912 10.4899 numMergedOcc 0
30 mol 75 unq 1 iso 0 dist 6.95595 10.309 8.56639 5.80162 8.59017 7.00674 numMergedOcc 0
31 mol 75 unq 1 iso 1 dist 6.95595 5.80162 8.59017 10.309 8.56639 7.00674 numMergedOcc 0
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34 mol 85 unq 1 iso 0 dist 6.58793 10.1919 7.95579 7.83419 7.66905 10.7229 numMergedOcc 0
35 mol 85 unq 1 iso 1 dist 6.58793 7.83419 7.66905 10.1919 7.95579 10.7229 numMergedOcc 0
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37 mol 85 unq 1 iso 1 dist 6.58793 7.83419 7.66905 9.21014 6.19965 6.9948 numMergedOcc 0
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41 mol 98 unq 0 iso 1 dist 5.9747 10.4417 6.48948 4.75138 5.08437 9.51923 numMergedOcc 0
42 mol 98 unq 1 iso 0 dist 5.9747 4.75138 5.08437 11.3628 6.10456 8.40073 numMergedOcc 0
43 mol 98 unq 1 iso 1 dist 5.9747 11.3628 6.10456 4.75138 5.08437 8.40073 numMergedOcc 0
44 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 11.3628 6.10456 9.42358 numMergedOcc 0
45 mol 98 unq 1 iso 1 dist 5.9747 11.3628 6.10456 10.4417 6.48948 9.42358 numMergedOcc 0
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47 mol 98 unq 2 iso 1 dist 4.50572 9.63267 6.48948 6.88489 5.08437 9.51923 numMergedOcc 0
48 mol 98 unq 3 iso 0 dist 4.50572 6.88489 5.08437 9.82583 6.10456 8.40073 numMergedOcc 0
49 mol 98 unq 3 iso 1 dist 4.50572 9.82583 6.10456 6.88489 5.08437 8.40073 numMergedOcc 0
50 mol 98 unq 3 iso 0 dist 4.50572 9.63267 6.48948 9.82583 6.10456 9.42358 numMergedOcc 0
51 mol 98 unq 3 iso 1 dist 4.50572 9.82583 6.10456 9.63267 6.48948 9.42358 numMergedOcc 0
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55 mol 109 unq 1 iso 1 dist 8.73648 4.48038 9.97763 9.47324 7.34473 8.40993 numMergedOcc 0
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57 mol 109 unq 1 iso 1 dist 8.73648 4.48038 9.97763 4.93112 8.58044 6.94915 numMergedOcc 0
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63 mol 115 unq 1 iso 1 dist 5.02717 11.0268 7.88312 5.28901 7.30858 11.5723 numMergedOcc 0
64 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 11.0268 7.88312 8.02349 numMergedOcc 0
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67 mol 115 unq 2 iso 1 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 numMergedOcc 0
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123 mol 205 unq 1 iso 1 dist 5.96555 5.87892 7.80463 10.7091 7.26832 13.8543 numMergedOcc 0
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131 mol 214 unq 2 iso 1 dist 5.36829 4.98764 7.14453 11.7583 9.65138 9.10746 numMergedOcc 0
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196 mol 259 unq 0 iso 0 dist 5.90645 4.62072 8.53687 10.4985 8.13497 10.582 numMergedOcc 0
197 mol 259 unq 0 iso 1 dist 5.90645 10.4985 8.13497 4.62072 8.53687 10.582 numMergedOcc 0
198 mol 259 unq 1 iso 0 dist 8.06771 6.64729 8.13497 9.79538 7.88519 4.69778 numMergedOcc 0
199 mol 259 unq 1 iso 1 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 numMergedOcc 0
200 mol 264 unq 0 iso 0 dist 8.43858 10.2215 9.361 8.55312 6.24356 10.3202 numMergedOcc 0
201 mol 264 unq 0 iso 1 dist 8.43858 8.55312 6.24356 10.2215 9.361 10.3202 numMergedOcc 0
