0 mol 0 unq 0 iso 0 dist 7.20999 5.56011 7.65806 7.08361 6.91778 9.15528 11.0785 6.0225 9.72725 12.8524 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.15434 11.2706 7.10621 10.7937 8.72114 13.8829 13.6482 7.12508 6.1206 11.2901 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.15434 11.2706 7.10621 10.7937 8.72114 13.8829 17.5841 11.143 7.67927 16.0449 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 8.59049 5.70228 4.7319 5.11248 6.72833 6.51133 6.21616 6.86055 7.65889 5.94982 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 13.4836 8.60554 8.52463 11.6434 5.11636 7.95042 5.80953 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 11.9824 8.44664 10.971 11.6434 5.11636 7.95042 12.8213 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.20058 16.6906 8.86116 9.04355 9.44691 13.4893 11.6434 5.11636 7.95042 11.7489 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 6.23095 11.5983 6.03987 12.1434 8.6653 5.82503 9.39274 4.77954 7.99919 10.4755 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 9.22151 4.96681 7.57578 6.63966 8.50222 6.08585 9.55662 10.2864 4.79873 9.35791 numMergedOcc 0
9 mol 25 unq 2 iso 0 dist 9.22151 4.96681 7.57578 6.63966 8.50222 6.08585 9.95169 5.18617 9.48085 6.53269 numMergedOcc 0
10 mol 25 unq 3 iso 0 dist 6.22122 4.96681 7.17969 6.63966 7.55264 6.08585 9.55662 11.4148 4.79873 9.35791 numMergedOcc 0
11 mol 25 unq 4 iso 0 dist 6.22122 4.96681 7.17969 6.63966 7.55264 6.08585 9.95169 5.68041 9.48085 6.53269 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 15.1138 9.27838 11.6378 12.0518 5.69391 9.55118 7.58875 numMergedOcc 0
13 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 15.1138 9.27838 11.6378 19.2494 13.4212 9.10345 14.0067 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 11.0132 6.65501 4.4057 9.55337 3.9764 5.10496 4.62494 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 8.05602 4.72129 6.48948 11.0132 6.65501 7.42446 9.55337 3.9764 5.92242 4.62494 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 8.05602 4.72129 6.48948 11.0132 6.65501 7.42446 4.79891 7.03983 7.02507 9.84743 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 8.05602 12.0339 6.10456 11.0132 6.65501 9.67482 15.2414 10.4782 7.54889 8.46823 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 8.05602 12.0339 6.10456 11.0132 6.65501 9.67482 9.55337 3.9764 5.2571 4.62494 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 5.70279 5.92158 7.47343 10.838 8.30845 12.2861 8.38273 5.9143 7.82475 13.9449 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 5.70279 5.92158 7.47343 10.838 8.30845 12.2861 5.30117 5.47563 5.35782 13.2383 numMergedOcc 0
21 mol 100 unq 2 iso 0 dist 5.70279 5.92158 7.47343 11.4018 8.76378 15.5385 8.38273 5.9143 7.82475 10.8812 numMergedOcc 0
22 mol 100 unq 3 iso 0 dist 5.70279 5.92158 7.47343 11.4018 8.76378 15.5385 5.30117 5.47563 5.35782 11.4348 numMergedOcc 0
23 mol 100 unq 4 iso 0 dist 5.70279 5.85449 6.65086 10.838 8.30845 5.80144 10.7785 6.23008 8.91882 6.59691 numMergedOcc 0
24 mol 100 unq 5 iso 0 dist 5.70279 5.85449 6.65086 11.4018 8.76378 12.3577 10.7785 6.23008 8.91882 13.2391 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 10.8869 7.80523 7.74599 13.0202 5.00433 8.52024 7.56755 numMergedOcc 0
26 mol 129 unq 0 iso 0 dist 6.23966 6.65856 5.83384 6.47522 6.28565 4.55551 11.3401 9.00231 5.58833 9.8591 numMergedOcc 0
27 mol 129 unq 1 iso 0 dist 6.23966 6.65856 5.83384 5.85167 7.58957 10.5488 11.3401 9.00231 5.58833 15.5412 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 9.79004 7.33132 8.22656 13.2968 7.71248 10.6025 4.79003 6.9945 7.22643 13.0475 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 5.57904 6.50005 6.49416 12.4426 7.80532 9.87376 15.3301 12.3479 9.33094 10.1824 numMergedOcc 0
30 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 5.52764 7.92304 5.50031 8.14405 4.91785 8.97626 9.16358 numMergedOcc 0
31 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 5.07333 5.44002 10.3603 16.3573 13.514 6.52816 16.7889 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 5.47561 5.60111 7.21333 10.3328 7.67576 7.75656 8.51427 6.84862 5.56538 8.43195 numMergedOcc 0
33 mol 222 unq 1 iso 0 dist 5.47561 5.60111 7.21333 10.3328 7.67576 7.75656 11.6182 9.53117 7.48954 8.23406 numMergedOcc 0
34 mol 222 unq 2 iso 0 dist 5.47561 5.60111 7.21333 15.0445 9.82371 16.0949 8.51427 6.84862 5.56538 14.0832 numMergedOcc 0
35 mol 222 unq 3 iso 0 dist 5.47561 5.60111 7.21333 15.0445 9.82371 16.0949 11.6182 9.53117 7.48954 14.9425 numMergedOcc 0
36 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 10.4939 8.66332 6.65022 10.3383 5.70473 7.27993 9.37336 numMergedOcc 0
37 mol 239 unq 0 iso 0 dist 8.61729 7.02319 6.16342 5.66996 8.84636 4.30299 11.7534 10.6736 6.73665 10.0627 numMergedOcc 0
