0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 9.96415 6.88805 5.99459 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.22805 6.96396 7.10621 11.1727 7.12508 6.1206 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.22805 6.96396 7.10621 13.8869 11.143 7.67927 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 6.40513 5.9863 4.61088 9.33059 4.10106 6.54358 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 6.30573 7.95811 9.58196 10.4238 5.76302 8.84686 numMergedOcc 0
5 mol 16 unq 0 iso 0 dist 7.46752 5.66097 7.63133 12.8674 9.81307 8.43054 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 8.14598 5.69214 7.95042 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 14.1443 6.47509 7.05196 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 8.8058 12.5818 6.43294 12.3852 8.62476 7.57295 numMergedOcc 0
9 mol 60 unq 1 iso 0 dist 8.8058 10.0675 8.7531 12.3852 8.62476 8.4312 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.22376 3.85308 7.66905 10.8478 5.59906 7.7068 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 7.76275 13.1838 9.36773 15.8947 12.1193 7.80898 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 9.40559 11.8978 8.03644 15.1845 15.6249 8.27883 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 9.40559 11.8978 8.03644 15.1965 12.4896 5.75428 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 9.40559 11.8978 8.03644 20.1016 14.2178 8.57395 numMergedOcc 0
15 mol 95 unq 3 iso 0 dist 9.40559 11.8978 8.03644 17.7481 8.78079 9.85409 numMergedOcc 0
16 mol 95 unq 4 iso 0 dist 8.26838 15.4217 8.03644 18.674 11.3215 9.3948 numMergedOcc 0
17 mol 95 unq 5 iso 0 dist 8.26838 15.4217 8.03644 11.3773 5.06946 9.74607 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 9.57498 6.89762 6.45675 13.3196 5.43561 7.82475 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 9.57498 6.89762 6.45675 11.3211 6.30222 5.35782 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 14.5979 10.3209 7.69765 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 7.44784 7.64822 7.30858 14.1895 15.3161 9.42082 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 9.56867 9.97256 6.11741 14.1895 6.07067 6.39384 numMergedOcc 0
23 mol 115 unq 3 iso 0 dist 9.56867 7.64822 7.88312 14.5979 11.835 7.69765 numMergedOcc 0
24 mol 115 unq 4 iso 0 dist 9.56867 7.64822 7.88312 14.1895 6.07067 9.42082 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 6.85677 4.99061 6.18601 10.7143 4.39676 8.95212 numMergedOcc 0
26 mol 130 unq 0 iso 0 dist 9.05626 7.09664 8.70949 9.67398 4.97996 6.93139 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 7.15203 9.71227 8.22656 9.7105 6.9945 7.22643 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 16.1624 10.8635 9.33094 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 5.67862 12.4156 9.71307 19.6139 15.0225 9.1998 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 5.67862 12.4156 9.71307 16.1624 10.8635 8.69531 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 7.97208 9.52819 6.49416 16.1624 12.3479 9.33094 numMergedOcc 0
32 mol 143 unq 0 iso 0 dist 5.30872 6.3915 5.99315 12.82 13.1926 7.36975 numMergedOcc 0
33 mol 143 unq 1 iso 0 dist 5.30872 6.3915 5.99315 9.84746 7.39837 5.40637 numMergedOcc 0
34 mol 143 unq 2 iso 0 dist 7.5984 5.11989 5.99315 9.33882 4.78563 5.37047 numMergedOcc 0
35 mol 167 unq 0 iso 0 dist 7.83781 6.43506 9.87651 10.4953 7.87971 7.20495 numMergedOcc 0
36 mol 167 unq 1 iso 0 dist 7.83781 6.43506 9.87651 13.3506 12.0033 9.2289 numMergedOcc 0
37 mol 167 unq 2 iso 0 dist 7.83781 6.43506 9.87651 12.2826 11.6011 7.02548 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 9.63295 12.5935 7.63312 17.7213 10.6474 6.64173 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 9.63295 12.5935 7.63312 8.39573 5.93724 9.01624 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 9.63295 12.5935 7.63312 11.1521 5.12833 9.55105 numMergedOcc 0
41 mol 222 unq 0 iso 0 dist 8.69148 9.97859 7.21333 13.422 6.84862 5.56538 numMergedOcc 0
42 mol 222 unq 1 iso 0 dist 8.69148 9.97859 7.21333 15.096 9.53117 7.48954 numMergedOcc 0
43 mol 224 unq 0 iso 0 dist 7.04127 4.55824 6.61986 5.36326 5.13732 8.08349 numMergedOcc 0
44 mol 236 unq 0 iso 0 dist 6.73134 5.52669 8.04248 9.67162 4.66414 8.23087 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 7.98022 6.3873 5.72887 14.5078 7.06793 9.72188 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 15.148 8.8603 9.07743 numMergedOcc 0
47 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 13.0667 7.20604 9.63573 numMergedOcc 0
48 mol 259 unq 2 iso 0 dist 6.96379 12.7595 7.88519 15.148 8.8603 7.66153 numMergedOcc 0
49 mol 272 unq 0 iso 0 dist 8.82094 4.78295 8.48753 5.38409 5.12237 6.44147 numMergedOcc 0
50 mol 272 unq 1 iso 0 dist 9.80332 8.26567 8.48753 8.45524 5.12237 6.44147 numMergedOcc 0
51 mol 277 unq 0 iso 0 dist 8.35794 5.77904 9.7748 13.222 11.4555 9.35539 numMergedOcc 0
52 mol 277 unq 1 iso 0 dist 8.35794 5.77904 9.7748 9.91103 17.6038 8.9682 numMergedOcc 0
53 mol 277 unq 2 iso 0 dist 8.35794 5.77904 9.7748 7.0603 14.772 6.92711 numMergedOcc 0
54 mol 280 unq 0 iso 0 dist 8.27417 12.0417 6.53701 11.3818 4.90315 6.02353 numMergedOcc 0
55 mol 280 unq 1 iso 0 dist 8.27417 7.26698 6.0664 11.3818 4.90315 6.86234 numMergedOcc 0
