0 mol 42 unq 0 iso 0 dist 9.83301 7.73997 10.1829 5.6382 5.52834 9.39402 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.49678 9.29102 10.1404 5.37112 5.06188 11.0811 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.31934 8.1717 7.31044 8.773 9.11512 15.4032 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 9.67476 9.88566 8.43533 12.9986 8.27009 15.7437 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 9.67476 9.88566 8.43533 4.85065 5.80736 9.10001 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 7.52544 8.26805 5.50078 4.77004 5.73235 9.50939 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 7.52544 9.68577 11.6055 4.77004 5.73235 13.4154 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 8.08674 8.26805 11.6853 4.77004 7.48127 9.50939 numMergedOcc 0
8 mol 76 unq 3 iso 0 dist 8.08674 9.68577 15.0489 4.77004 7.48127 13.4154 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 5.41154 7.86805 8.73538 4.26822 7.72515 11.71 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 8.60438 7.30934 4.77556 9.63545 9.06641 7.01987 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 8.80616 8.18193 4.5348 5.64342 8.57909 5.87382 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 7.53333 9.70317 9.02311 5.2815 6.90966 12.7153 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 5.88484 8.7474 5.34596 4.93171 9.92281 13.0085 numMergedOcc 0
14 mol 123 unq 1 iso 0 dist 5.88484 9.54257 6.41552 4.93171 9.92281 11.3617 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 9.6112 6.91039 7.33175 9.53483 6.87456 11.8224 numMergedOcc 0
16 mol 143 unq 1 iso 0 dist 7.88346 5.24882 5.08025 5.57673 5.40826 6.38786 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 8.66519 8.47439 12.949 16.2743 8.72323 19.6449 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.17789 8.94445 14.3694 10.2242 9.2254 17.588 numMergedOcc 0
19 mol 211 unq 0 iso 0 dist 7.49132 7.78316 9.54726 11.2256 8.10779 13.1491 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 5.50553 8.86773 6.4179 11.0096 9.8165 11.4599 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 5.50553 8.95095 11.4354 11.0096 9.8165 16.7864 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 9.51286 6.9943 5.79323 8.13583 9.0836 10.3444 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 9.51286 6.9943 5.79323 4.80695 9.62494 9.90506 numMergedOcc 0
24 mol 266 unq 2 iso 0 dist 9.51286 7.36685 7.52317 8.13583 9.0836 6.39822 numMergedOcc 0
25 mol 266 unq 3 iso 0 dist 9.51286 7.36685 7.52317 4.80695 9.62494 8.61077 numMergedOcc 0
26 mol 266 unq 4 iso 0 dist 9.51286 9.03099 9.52953 8.13583 9.0836 5.36518 numMergedOcc 0
27 mol 266 unq 5 iso 0 dist 9.51286 9.03099 9.52953 4.80695 9.62494 9.11585 numMergedOcc 0
28 mol 266 unq 6 iso 0 dist 8.78501 7.51951 15.5294 8.96584 9.39714 14.3052 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 9.60879 7.34927 14.4215 4.00063 6.66936 9.07744 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 6.92271 7.34927 5.11865 4.00063 8.15119 9.07744 numMergedOcc 0
31 mol 277 unq 2 iso 0 dist 8.62666 7.54315 5.11865 9.31316 8.15119 9.07744 numMergedOcc 0
32 mol 281 unq 0 iso 0 dist 8.80931 7.82358 14.7035 3.90611 6.58925 9.39268 numMergedOcc 0
33 mol 294 unq 0 iso 0 dist 8.92737 7.33086 8.0693 9.82894 6.37998 12.8085 numMergedOcc 0
34 mol 294 unq 1 iso 0 dist 8.92737 7.88971 9.57892 9.82894 6.37998 11.1448 numMergedOcc 0
35 mol 294 unq 2 iso 0 dist 8.92737 6.82335 10.0639 9.82894 6.37998 14.2426 numMergedOcc 0
36 mol 294 unq 3 iso 0 dist 7.15278 9.32126 8.0693 6.49126 6.37998 12.8085 numMergedOcc 0
37 mol 294 unq 4 iso 0 dist 7.15278 9.38111 9.57892 6.49126 6.37998 11.1448 numMergedOcc 0
38 mol 294 unq 5 iso 0 dist 7.15278 9.14005 10.0639 6.49126 6.37998 14.2426 numMergedOcc 0
