0 mol 19 unq 0 iso 0 dist 7.20519 6.92532 12.3486 7.75618 4.96411 13.9675 8.7083 11.877 14.6955 8.54034 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 4.54938 6.92532 5.18512 7.75618 9.74255 13.9675 8.7083 13.0732 14.6955 8.54034 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 6.864 6.92532 9.47529 7.75618 7.08342 13.9675 8.7083 12.2354 14.6955 8.54034 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 9.41441 6.66749 11.9395 9.88364 10.2862 13.9632 9.85784 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 9.41441 6.66749 11.9395 9.78753 11.825 15.2234 9.87996 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.86116 6.72502 6.58998 8.60554 8.52463 6.99746 14.8647 12.5088 13.0098 6.61696 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.86116 6.72502 6.58998 8.60554 8.52463 6.99746 5.11636 7.95042 8.24948 5.80953 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 8.86116 6.72502 6.58998 8.44664 10.971 7.6844 4.79736 12.3058 11.2038 9.98592 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 8.86116 6.72502 6.58998 9.44691 13.4893 7.05541 14.4081 17.9275 13.5399 9.586 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 8.86116 6.60423 5.97304 9.41441 14.012 11.9395 9.88364 18.188 13.9632 9.85784 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 8.86116 6.60423 5.97304 9.41441 14.012 11.9395 9.78753 18.4146 15.2234 9.87996 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 8.38394 6.72502 6.59374 8.60554 12.3994 6.99746 14.8647 17.9146 13.0098 6.61696 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 8.38394 6.72502 6.59374 8.60554 12.3994 6.99746 5.11636 10.9819 8.24948 5.80953 numMergedOcc 0
13 mol 24 unq 10 iso 0 dist 8.38394 6.72502 6.59374 8.44664 5.30734 7.6844 4.79736 10.6772 11.2038 9.98592 numMergedOcc 0
14 mol 24 unq 11 iso 0 dist 8.38394 6.72502 6.59374 9.44691 12.505 7.05541 14.4081 19.8965 13.5399 9.586 numMergedOcc 0
15 mol 24 unq 12 iso 0 dist 5.54419 4.93188 4.33963 6.73939 12.176 10.0715 15.4313 20.8425 18.97 9.85784 numMergedOcc 0
16 mol 24 unq 13 iso 0 dist 5.54419 4.93188 4.33963 6.73939 12.176 10.0715 14.1829 19.3627 18.1962 9.87996 numMergedOcc 0
17 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 7.45383 7.33728 11.7817 6.47509 7.05196 12.8378 5.20109 numMergedOcc 0
18 mol 25 unq 1 iso 0 dist 7.57578 6.90155 9.36158 6.16347 9.34396 11.0508 5.63212 10.9703 12.3361 5.20109 numMergedOcc 0
19 mol 25 unq 2 iso 0 dist 7.17969 6.90155 10.1525 6.16347 10.8498 11.0508 5.63212 10.3338 12.3361 5.20109 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 6.65501 4.4057 11.2092 10.4782 9.81956 12.2279 8.46823 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 5.08437 7.26086 7.32662 6.65501 4.4057 11.2092 3.9764 5.10496 8.75597 4.62494 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 6.48948 7.26086 13.4985 6.65501 7.42446 11.2092 10.4782 10.8223 12.2279 8.46823 numMergedOcc 0
23 mol 98 unq 3 iso 0 dist 6.48948 7.26086 13.4985 6.65501 7.42446 11.2092 3.9764 5.92242 8.75597 4.62494 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 6.10456 7.26086 6.934 6.65501 9.67482 11.2092 10.4782 7.54889 12.2279 8.46823 numMergedOcc 0
25 mol 98 unq 5 iso 0 dist 6.10456 7.26086 6.934 6.65501 9.67482 11.2092 3.9764 5.2571 8.75597 4.62494 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 8.69985 5.34214 9.14441 7.80523 7.74599 10.8469 5.00433 8.52024 9.78192 7.56755 numMergedOcc 0
27 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 4.97175 7.29399 4.53459 6.16616 11.8464 13.4823 9.35533 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.29155 6.76699 5.74088 6.16242 4.54648 9.34112 13.0405 8.77023 11.9059 8.83732 numMergedOcc 0
29 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.78652 6.48978 15.0801 4.78563 5.37047 13.1913 5.06564 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 8.91301 5.20762 15.0315 4.78563 5.37047 13.1913 7.5373 numMergedOcc 0
31 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 7.78652 6.48978 11.5146 4.78563 5.37047 10.6706 5.06564 numMergedOcc 0
32 mol 143 unq 3 iso 0 dist 5.99315 7.63338 12.8872 8.91301 5.20762 13.434 4.78563 5.37047 10.6706 7.5373 numMergedOcc 0
33 mol 143 unq 4 iso 0 dist 5.99315 9.03707 7.76364 7.78652 6.48978 8.97873 4.78563 5.37047 10.8457 5.06564 numMergedOcc 0
34 mol 143 unq 5 iso 0 dist 5.99315 9.03707 7.76364 8.91301 5.20762 6.29542 4.78563 5.37047 10.8457 7.5373 numMergedOcc 0
35 mol 143 unq 6 iso 0 dist 5.99315 7.25673 9.23795 7.78652 6.48978 6.60479 4.78563 5.37047 8.612 5.06564 numMergedOcc 0
36 mol 143 unq 7 iso 0 dist 5.99315 7.25673 9.23795 8.91301 5.20762 7.54337 4.78563 5.37047 8.612 7.5373 numMergedOcc 0
37 mol 170 unq 0 iso 0 dist 9.76807 8.15099 7.72147 6.35982 4.34698 7.29587 4.78249 9.51256 5.13268 6.47164 numMergedOcc 0
38 mol 170 unq 1 iso 0 dist 9.76807 8.15099 7.72147 7.51126 5.75144 8.73585 4.78249 9.51256 5.13268 9.65126 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 8.73217 11.7429 11.8992 10.8286 17.8564 14.6369 9.99396 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 7.43071 6.00424 12.8075 5.0317 10.7855 9.43618 9.18728 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 9.34734 8.03442 10.2525 5.41321 10.7656 4.59123 5.0317 10.7855 9.43618 8.91971 numMergedOcc 0
42 mol 227 unq 2 iso 0 dist 7.22101 8.03442 10.5813 7.43071 6.35849 12.8075 5.0317 5.23634 9.43618 9.18728 numMergedOcc 0
43 mol 227 unq 3 iso 0 dist 7.22101 8.03442 10.5813 5.41321 10.9607 4.59123 5.0317 5.23634 9.43618 8.91971 numMergedOcc 0
44 mol 227 unq 4 iso 0 dist 8.65997 8.03442 7.22396 7.43071 10.204 12.8075 5.0317 6.91318 9.43618 9.18728 numMergedOcc 0
45 mol 227 unq 5 iso 0 dist 8.65997 8.03442 7.22396 5.41321 9.72615 4.59123 5.0317 6.91318 9.43618 8.91971 numMergedOcc 0
46 mol 227 unq 6 iso 0 dist 7.56888 8.03442 6.10296 7.43071 9.76735 12.8075 5.0317 11.2661 9.43618 9.18728 numMergedOcc 0
47 mol 227 unq 7 iso 0 dist 7.56888 8.03442 6.10296 5.41321 5.10635 4.59123 5.0317 11.2661 9.43618 8.91971 numMergedOcc 0
48 mol 227 unq 8 iso 0 dist 7.55216 8.03442 9.69537 7.43071 9.32448 12.8075 5.0317 12.3663 9.43618 9.18728 numMergedOcc 0
49 mol 227 unq 9 iso 0 dist 7.55216 8.03442 9.69537 5.41321 6.48027 4.59123 5.0317 12.3663 9.43618 8.91971 numMergedOcc 0
50 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 9.05071 8.80479 13.8622 5.42461 10.3021 10.7452 6.59036 numMergedOcc 0
51 mol 234 unq 0 iso 0 dist 8.41436 9.007 8.16888 7.32499 10.7902 5.76537 13.1872 17.3846 10.0117 7.77911 numMergedOcc 0
52 mol 234 unq 1 iso 0 dist 8.92474 9.007 5.3211 7.32499 4.4288 5.76537 13.1872 11.3419 10.0117 7.77911 numMergedOcc 0
