0 mol 11 unq 0 iso 0 dist 6.89666 6.09937 7.28643 4.73237 4.61088 8.68293 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 8.6586 6.7846 13.2653 5.54419 8.23075 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 8.6586 6.7846 5.80023 7.36323 10.551 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.88695 7.89667 8.39015 5.3315 8.34347 8.31381 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.05508 9.34271 10.1462 5.34079 6.85766 12.3053 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 9.00229 9.34271 15.0017 10.1484 8.95999 19.3245 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.4551 6.46582 3.69293 8.78063 6.97941 7.61521 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.9747 9.68556 13.6536 4.75138 5.08437 14.3025 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.9747 9.68556 13.6536 10.4417 6.48948 17.4636 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 5.9747 9.68556 13.6536 11.3628 6.10456 18.9347 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 5.22543 6.67863 6.2696 4.50603 6.57035 10.7342 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 8.89481 9.86767 13.0914 4.36935 5.86073 9.59585 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 7.04864 8.03124 3.35803 4.5543 8.75408 10.8176 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 7.04864 8.03124 3.35803 6.81949 6.44653 8.38358 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 6.38163 7.04904 10.3933 8.61575 9.61051 13.1959 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 6.38163 7.04904 10.3933 10.0961 5.83384 12.0878 numMergedOcc 0
16 mol 129 unq 2 iso 0 dist 6.38163 5.06053 9.27274 8.61575 9.61051 12.7909 numMergedOcc 0
17 mol 129 unq 3 iso 0 dist 6.38163 5.06053 9.27274 10.0961 5.83384 12.4085 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 9.3894 4.82356 6.12885 4.84607 6.5107 5.78814 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 9.3894 4.82356 6.12885 13.0836 9.52634 11.6108 numMergedOcc 0
20 mol 133 unq 2 iso 0 dist 9.50322 8.52036 10.3893 5.37072 7.11802 10.3827 numMergedOcc 0
21 mol 133 unq 3 iso 0 dist 5.82404 8.52036 11.323 10.2385 6.29155 17.3734 numMergedOcc 0
22 mol 133 unq 4 iso 0 dist 5.82404 8.52036 11.323 4.64588 6.80239 13.0458 numMergedOcc 0
23 mol 133 unq 5 iso 0 dist 5.82404 8.52036 11.323 5.37072 8.00618 10.3827 numMergedOcc 0
24 mol 180 unq 0 iso 0 dist 9.88732 7.58661 4.38407 6.54937 9.62337 9.63576 numMergedOcc 0
25 mol 180 unq 1 iso 0 dist 9.88732 6.53993 9.89998 6.54937 9.62337 11.5859 numMergedOcc 0
26 mol 180 unq 2 iso 0 dist 5.77949 5.81023 4.38407 6.91082 9.62337 9.63576 numMergedOcc 0
27 mol 180 unq 3 iso 0 dist 5.77949 8.4285 9.89998 6.91082 9.62337 11.5859 numMergedOcc 0
28 mol 180 unq 4 iso 0 dist 8.68403 7.80553 4.38407 10.1423 9.62337 9.63576 numMergedOcc 0
29 mol 180 unq 5 iso 0 dist 8.68403 8.39019 9.89998 10.1423 9.62337 11.5859 numMergedOcc 0
30 mol 196 unq 0 iso 0 dist 6.87731 8.3151 7.02978 4.59462 9.62191 10.1238 numMergedOcc 0
31 mol 196 unq 1 iso 0 dist 9.99314 6.10505 10.3492 6.70722 9.62191 11.2788 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 6.752 8.93485 5.42503 4.2475 7.45763 9.31158 numMergedOcc 0
33 mol 205 unq 1 iso 0 dist 5.4913 5.66636 5.42503 6.8901 7.45763 9.31158 numMergedOcc 0
34 mol 210 unq 0 iso 0 dist 8.62103 9.49242 9.97638 3.84723 6.18308 11.1783 numMergedOcc 0
35 mol 210 unq 1 iso 0 dist 8.62103 9.25184 4.29623 3.84723 6.18308 6.85824 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 7.16386 8.60252 3.7812 9.02283 9.41367 13.0785 numMergedOcc 0
37 mol 222 unq 0 iso 0 dist 7.85877 4.90656 8.89157 4.82768 7.21333 5.1609 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 9.29752 9.67243 5.61663 9.60401 8.27212 12.5802 numMergedOcc 0
39 mol 235 unq 0 iso 0 dist 8.48065 8.1174 4.75609 5.23741 5.4638 8.08965 numMergedOcc 0
40 mol 239 unq 0 iso 0 dist 6.44212 5.17335 4.61469 7.97883 6.16342 9.68695 numMergedOcc 0
41 mol 241 unq 0 iso 0 dist 9.10633 8.49869 4.07839 7.20238 7.4631 10.0267 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 6.42725 6.69951 5.97386 8.70769 5.30224 8.25897 numMergedOcc 0
43 mol 265 unq 0 iso 0 dist 9.772 5.8898 7.71667 5.75478 8.4218 5.7944 numMergedOcc 0
44 mol 272 unq 0 iso 0 dist 9.96394 9.99134 15.3776 11.5918 8.33638 19.717 numMergedOcc 0
45 mol 277 unq 0 iso 0 dist 9.29635 5.11998 7.75371 10.8075 9.7748 5.69112 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 9.29635 5.79925 11.3546 10.8075 9.7748 7.2091 numMergedOcc 0
