0 mol 0 unq 0 iso 0 dist 9.42137 5.66453 6.26831 6.99594 10.3034 7.48645 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.8603 13.8384 5.72491 20.1368 10.789 9.55056 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.8603 13.8384 5.72491 20.1827 10.515 7.45262 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 5.51421 10.3237 7.88043 16.9879 12.2708 9.55056 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 5.51421 10.3237 7.88043 10.9688 6.06176 7.45262 numMergedOcc 0
5 mol 7 unq 4 iso 0 dist 5.51421 13 8.80762 16.9879 12.2708 7.57354 numMergedOcc 0
6 mol 7 unq 5 iso 0 dist 5.51421 13 8.80762 10.9688 6.06176 6.96586 numMergedOcc 0
7 mol 8 unq 0 iso 0 dist 7.46102 12.3138 7.3915 18.2143 12.8924 8.94096 numMergedOcc 0
8 mol 8 unq 1 iso 0 dist 7.46102 12.3138 7.3915 8.16743 4.85329 9.07858 numMergedOcc 0
9 mol 9 unq 0 iso 0 dist 8.46229 7.36079 7.05346 16.4439 13.5628 9.82483 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 8.6396 13.3963 6.6492 12.5693 4.70708 8.5404 numMergedOcc 0
11 mol 26 unq 0 iso 0 dist 6.88695 6.29311 5.69955 13.7373 9.87119 7.61055 numMergedOcc 0
12 mol 44 unq 0 iso 0 dist 9.96265 8.17152 7.52117 7.23261 5.87283 9.17518 numMergedOcc 0
13 mol 44 unq 1 iso 0 dist 9.96265 8.17152 7.52117 6.20069 10.6223 8.21833 numMergedOcc 0
14 mol 44 unq 2 iso 0 dist 9.70459 10.0357 7.52117 8.96501 5.87283 9.17518 numMergedOcc 0
15 mol 44 unq 3 iso 0 dist 9.70459 10.0357 7.52117 10.9451 10.6223 8.21833 numMergedOcc 0
16 mol 44 unq 4 iso 0 dist 7.78905 7.37043 7.52117 9.4798 5.87283 9.17518 numMergedOcc 0
17 mol 44 unq 5 iso 0 dist 7.78905 7.37043 7.52117 11.4469 10.6223 8.21833 numMergedOcc 0
18 mol 44 unq 6 iso 0 dist 9.44909 6.36853 7.52117 13.1527 5.87283 9.17518 numMergedOcc 0
19 mol 44 unq 7 iso 0 dist 9.44909 6.36853 7.52117 13.9483 10.6223 8.21833 numMergedOcc 0
20 mol 56 unq 0 iso 0 dist 7.20538 9.91757 6.77886 15.2867 10.9467 5.86571 numMergedOcc 0
21 mol 92 unq 0 iso 0 dist 7.5819 7.07175 8.65802 14.9008 12.3813 9.20197 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 5.02717 4.92962 5.72642 14.0848 11.7126 9.9928 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 8.44385 9.79485 7.99857 10.2497 6.35763 9.87025 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 8.44385 9.79485 7.99857 13.4009 7.36192 5.85818 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 5.63005 9.79485 8.56342 10.2497 10.0197 9.87025 numMergedOcc 0
26 mol 119 unq 3 iso 0 dist 5.63005 9.79485 8.56342 13.4009 10.6679 5.85818 numMergedOcc 0
27 mol 120 unq 0 iso 0 dist 7.04864 4.63594 8.93905 11.1011 8.94259 8.43028 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 7.81337 6.99491 9.29384 10.4607 7.00551 9.39683 numMergedOcc 0
29 mol 143 unq 0 iso 0 dist 8.30654 6.29937 8.41611 10.2332 5.44503 6.40901 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 8.30654 6.49958 7.63338 11.674 6.01455 8.1582 numMergedOcc 0
31 mol 143 unq 2 iso 0 dist 8.30654 6.49958 7.63338 10.2332 5.44503 9.40626 numMergedOcc 0
32 mol 143 unq 3 iso 0 dist 8.30654 5.82537 7.25673 11.674 6.01455 7.88655 numMergedOcc 0
33 mol 154 unq 0 iso 0 dist 6.23399 9.97577 7.72144 12.7665 13.9336 9.47362 numMergedOcc 0
34 mol 154 unq 1 iso 0 dist 6.23399 9.97577 7.72144 11.937 6.53652 6.28417 numMergedOcc 0
35 mol 159 unq 0 iso 0 dist 7.97007 6.23157 7.25742 8.91189 4.57561 7.13269 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 8.03995 9.52773 9.83476 13.9063 13.1933 7.94153 numMergedOcc 0
37 mol 192 unq 0 iso 0 dist 9.90531 7.32981 7.24199 14.1636 5.71262 8.53433 numMergedOcc 0
38 mol 195 unq 0 iso 0 dist 7.63036 6.90444 6.60567 16.6506 13.6975 9.79691 numMergedOcc 0
39 mol 214 unq 0 iso 0 dist 9.51764 10.5029 6.38157 11.3587 6.67959 5.10114 numMergedOcc 0
40 mol 214 unq 1 iso 0 dist 5.36829 8.38755 6.38157 10.5513 6.67959 5.10114 numMergedOcc 0
41 mol 214 unq 2 iso 0 dist 4.84709 6.83037 8.46327 9.39099 10.7373 7.2498 numMergedOcc 0
42 mol 218 unq 0 iso 0 dist 7.0843 5.77167 6.29367 8.27907 6.05563 6.86795 numMergedOcc 0
43 mol 218 unq 1 iso 0 dist 7.0843 5.77167 6.29367 12.023 8.36122 6.61099 numMergedOcc 0
44 mol 218 unq 2 iso 0 dist 7.73315 9.58139 8.06216 12.023 7.47048 9.67381 numMergedOcc 0
45 mol 218 unq 3 iso 0 dist 7.73315 5.77167 5.76954 8.27907 9.68444 6.86795 numMergedOcc 0
46 mol 218 unq 4 iso 0 dist 7.73315 5.77167 5.76954 12.023 7.47048 6.61099 numMergedOcc 0
47 mol 218 unq 5 iso 0 dist 6.9398 5.77167 9.20961 8.27907 11.4148 6.86795 numMergedOcc 0
48 mol 218 unq 6 iso 0 dist 6.9398 5.77167 9.20961 12.023 12.7963 6.61099 numMergedOcc 0
49 mol 237 unq 0 iso 0 dist 9.5822 6.08522 7.42587 11.5415 5.54394 7.35569 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 9.54857 12.7168 8.55558 10.5864 5.79468 6.39918 numMergedOcc 0
51 mol 259 unq 1 iso 0 dist 6.42725 12.2782 8.59697 8.65525 5.31048 6.39918 numMergedOcc 0
52 mol 261 unq 0 iso 0 dist 8.65236 3.67304 5.26434 10.4678 7.49174 9.24121 numMergedOcc 0
53 mol 261 unq 1 iso 0 dist 9.73983 3.67304 8.60026 10.4678 5.22253 9.24121 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 9.77689 9.41779 6.57903 16.096 9.92201 7.25677 numMergedOcc 0
55 mol 277 unq 1 iso 0 dist 8.51931 12.4389 6.57903 16.2537 9.92201 7.25677 numMergedOcc 0
56 mol 282 unq 0 iso 0 dist 8.76638 3.73903 5.23193 12.1823 7.30164 9.96468 numMergedOcc 0
57 mol 282 unq 1 iso 0 dist 8.76638 3.73903 5.23193 10.6519 8.36249 9.59817 numMergedOcc 0
58 mol 294 unq 0 iso 0 dist 7.98617 8.97436 9.13907 11.886 6.17102 8.32473 numMergedOcc 0
