0 mol 34 unq 0 iso 0 dist 7.87317 10.0293 9.18109 8.85016 9.52614 7.84627 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 7.76044 6.11728 7.89201 4.92836 7.07849 4.55823 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 7.28226 6.98135 9.33202 9.20676 8.81183 13.7974 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 7.28226 4.31442 6.55004 9.20676 8.81183 7.57208 numMergedOcc 0
4 mol 83 unq 2 iso 0 dist 7.28226 9.07263 7.16614 9.20676 8.81183 9.77063 numMergedOcc 0
5 mol 83 unq 3 iso 0 dist 7.28226 12.8734 9.35188 9.20676 8.81183 10.944 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 6.29966 7.65804 5.52402 4.43985 7.52802 9.11693 numMergedOcc 0
7 mol 108 unq 1 iso 0 dist 6.29966 7.65804 5.52402 10.9562 8.1971 5.29491 numMergedOcc 0
8 mol 108 unq 2 iso 0 dist 6.29966 7.65804 5.52402 13.0702 7.84262 9.40297 numMergedOcc 0
9 mol 108 unq 3 iso 0 dist 6.29966 9.35984 6.79804 4.43985 7.52802 6.94601 numMergedOcc 0
10 mol 108 unq 4 iso 0 dist 6.29966 9.35984 6.79804 10.9562 8.1971 5.49549 numMergedOcc 0
11 mol 108 unq 5 iso 0 dist 6.29966 9.35984 6.79804 13.0702 7.84262 5.53105 numMergedOcc 0
12 mol 108 unq 6 iso 0 dist 9.31725 14.3699 5.52402 9.15007 7.52802 9.11693 numMergedOcc 0
13 mol 108 unq 7 iso 0 dist 9.31725 14.3699 5.52402 16.2146 8.1971 5.29491 numMergedOcc 0
14 mol 108 unq 8 iso 0 dist 9.31725 14.3699 5.52402 13.816 7.84262 9.40297 numMergedOcc 0
15 mol 108 unq 9 iso 0 dist 9.31725 11.9597 6.79804 9.15007 7.52802 6.94601 numMergedOcc 0
16 mol 108 unq 10 iso 0 dist 9.31725 11.9597 6.79804 16.2146 8.1971 5.49549 numMergedOcc 0
17 mol 108 unq 11 iso 0 dist 9.31725 11.9597 6.79804 13.816 7.84262 5.53105 numMergedOcc 0
18 mol 108 unq 12 iso 0 dist 9.57358 13.8903 5.52402 9.33094 7.52802 9.11693 numMergedOcc 0
19 mol 108 unq 13 iso 0 dist 9.57358 13.8903 5.52402 16.9607 8.1971 5.29491 numMergedOcc 0
20 mol 108 unq 14 iso 0 dist 9.57358 13.8903 5.52402 16.0071 7.84262 9.40297 numMergedOcc 0
21 mol 108 unq 15 iso 0 dist 9.57358 13.7036 6.79804 9.33094 7.52802 6.94601 numMergedOcc 0
22 mol 108 unq 16 iso 0 dist 9.57358 13.7036 6.79804 16.9607 8.1971 5.49549 numMergedOcc 0
23 mol 108 unq 17 iso 0 dist 9.57358 13.7036 6.79804 16.0071 7.84262 5.53105 numMergedOcc 0
24 mol 108 unq 18 iso 0 dist 5.38329 4.85222 5.52402 9.28947 7.52802 9.11693 numMergedOcc 0
25 mol 108 unq 19 iso 0 dist 5.38329 4.85222 5.52402 9.97408 8.1971 5.29491 numMergedOcc 0
26 mol 108 unq 20 iso 0 dist 5.38329 4.85222 5.52402 12.4008 7.84262 9.40297 numMergedOcc 0
27 mol 108 unq 21 iso 0 dist 5.38329 10.7411 6.79804 9.28947 7.52802 6.94601 numMergedOcc 0
28 mol 108 unq 22 iso 0 dist 5.38329 10.7411 6.79804 9.97408 8.1971 5.49549 numMergedOcc 0
29 mol 108 unq 23 iso 0 dist 5.38329 10.7411 6.79804 12.4008 7.84262 5.53105 numMergedOcc 0
30 mol 108 unq 24 iso 0 dist 7.62421 4.85222 7.57593 12.4008 9.29208 9.40297 numMergedOcc 0
31 mol 108 unq 25 iso 0 dist 8.49918 7.15661 6.46069 5.53449 7.84262 10.5433 numMergedOcc 0
32 mol 108 unq 26 iso 0 dist 8.49918 7.15661 6.46069 9.01058 9.29208 12.2277 numMergedOcc 0
33 mol 110 unq 0 iso 0 dist 7.1891 5.76579 6.70591 5.84646 7.24538 8.30695 numMergedOcc 0
34 mol 110 unq 1 iso 0 dist 7.1891 7.87269 5.43052 5.84646 7.24538 6.72551 numMergedOcc 0
35 mol 110 unq 2 iso 0 dist 7.67702 9.62408 6.70591 6.69022 7.24538 8.30695 numMergedOcc 0
36 mol 110 unq 3 iso 0 dist 7.67702 10.5488 5.43052 6.69022 7.24538 6.72551 numMergedOcc 0
37 mol 133 unq 0 iso 0 dist 9.18505 6.45157 8.63817 7.75644 8.43088 12.4479 numMergedOcc 0
38 mol 183 unq 0 iso 0 dist 9.11445 8.54675 9.86506 7.30913 9.59741 11.1179 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 9.20848 6.34974 6.56262 4.12545 6.41452 5.31797 numMergedOcc 0
40 mol 253 unq 0 iso 0 dist 8.08789 4.88701 7.03809 5.35043 5.80702 4.52473 numMergedOcc 0
41 mol 257 unq 0 iso 0 dist 8.42116 12.2428 9.02271 13.3046 6.75578 11.2757 numMergedOcc 0
42 mol 257 unq 1 iso 0 dist 8.42116 12.2428 9.02271 15.9268 9.29499 8.87721 numMergedOcc 0
43 mol 257 unq 2 iso 0 dist 8.53984 9.93273 9.02271 11.62 6.75578 11.2757 numMergedOcc 0
44 mol 257 unq 3 iso 0 dist 8.53984 9.93273 9.02271 13.4207 9.29499 8.87721 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 8.87598 6.00285 5.45793 10.7991 9.29355 5.45575 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 8.87598 6.00285 5.45793 4.98212 6.13752 6.13878 numMergedOcc 0
47 mol 259 unq 2 iso 0 dist 8.87598 6.00285 5.45793 13.0438 7.87978 7.04297 numMergedOcc 0
48 mol 273 unq 0 iso 0 dist 6.98729 3.64938 9.12505 7.97745 7.70185 9.199 numMergedOcc 0
49 mol 294 unq 0 iso 0 dist 5.47073 5.42154 8.82869 8.58118 8.49287 5.66039 numMergedOcc 0
50 mol 294 unq 1 iso 0 dist 5.02677 8.9836 6.42303 9.80619 8.60714 3.99717 numMergedOcc 0
51 mol 294 unq 2 iso 0 dist 8.34193 9.20989 6.42303 10.7137 8.60714 3.99717 numMergedOcc 0
