0 mol 18 unq 0 iso 0 dist 5.03976 5.02571 8.52106 11.8312 9.35863 11.5747 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 5.03976 5.02571 8.52106 5.34733 5.04478 6.11048 numMergedOcc 0
2 mol 18 unq 2 iso 0 dist 5.03976 6.78812 6.32451 11.8312 9.35863 6.96996 numMergedOcc 0
3 mol 18 unq 3 iso 0 dist 5.03976 6.78812 6.32451 5.34733 5.04478 4.52259 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.08976 13.1105 8.82012 7.56492 5.84066 5.56139 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.08976 4.76147 9.16962 7.56492 5.84066 8.25132 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 9.5209 12.4304 8.68559 9.26879 7.11053 10.7345 numMergedOcc 0
7 mol 32 unq 1 iso 0 dist 8.9881 4.5514 8.68559 7.64485 7.11053 10.7345 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 8.23418 5.46406 9.20119 9.1673 5.81001 12.466 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 6.5784 10.4838 6.91734 5.51402 5.64432 5.95511 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 7.13638 7.33437 8.81638 6.45595 8.13051 6.07871 numMergedOcc 0
11 mol 86 unq 0 iso 0 dist 9.71513 10.0943 7.79359 5.55516 5.88159 5.9022 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 6.32393 10.8558 6.81812 3.66763 5.29949 8.50705 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 9.77482 5.17524 6.62561 11.119 9.94053 7.20875 numMergedOcc 0
14 mol 117 unq 1 iso 0 dist 9.77482 10.7342 7.63616 11.119 9.94053 3.77029 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 9.70951 12.9683 7.39889 12.3592 6.55202 6.30721 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 9.70951 12.9683 7.39889 4.06236 9.08536 14.443 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 9.70951 9.43252 9.63176 12.3592 6.55202 6.9194 numMergedOcc 0
18 mol 119 unq 3 iso 0 dist 9.70951 9.43252 9.63176 4.06236 9.08536 9.68677 numMergedOcc 0
19 mol 119 unq 4 iso 0 dist 9.70951 5.53626 7.44174 12.3592 6.55202 12.4621 numMergedOcc 0
20 mol 119 unq 5 iso 0 dist 9.70951 5.53626 7.44174 4.06236 9.08536 6.20019 numMergedOcc 0
21 mol 140 unq 0 iso 0 dist 9.53229 6.16586 8.19104 3.8853 6.88846 4.91618 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 7.06919 8.60204 9.31887 5.74987 9.76114 5.00913 numMergedOcc 0
23 mol 182 unq 0 iso 0 dist 8.91389 4.61382 6.73313 4.66231 5.73635 4.88992 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 8.6925 5.69131 8.45368 6.49084 5.461 4.72944 numMergedOcc 0
25 mol 213 unq 1 iso 0 dist 8.6925 16.447 9.59129 6.49084 5.461 10.1881 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 5.02756 5.74363 7.82944 6.77896 8.98681 10.9161 numMergedOcc 0
27 mol 225 unq 0 iso 0 dist 8.94219 10.0712 5.50387 12.3965 5.93063 4.7456 numMergedOcc 0
28 mol 233 unq 0 iso 0 dist 7.40764 7.20791 9.43203 5.47357 8.24424 8.59528 numMergedOcc 0
29 mol 233 unq 1 iso 0 dist 7.40764 7.20791 9.43203 5.47592 7.0942 5.43315 numMergedOcc 0
30 mol 233 unq 2 iso 0 dist 7.40764 7.20791 9.43203 3.67394 6.01775 6.8325 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 6.553 12.2372 6.16063 4.84686 9.11572 13.1872 numMergedOcc 0
32 mol 235 unq 0 iso 0 dist 7.79898 11.3444 9.58736 4.23778 7.02029 13.7306 numMergedOcc 0
33 mol 235 unq 1 iso 0 dist 7.79898 5.04474 9.43058 4.23778 7.02029 7.31605 numMergedOcc 0
34 mol 235 unq 2 iso 0 dist 7.79898 5.84429 8.75735 4.23778 7.02029 4.12497 numMergedOcc 0
35 mol 235 unq 3 iso 0 dist 7.79898 11.1685 6.98084 4.23778 7.02029 8.26028 numMergedOcc 0
36 mol 235 unq 4 iso 0 dist 7.79898 13.5816 7.32211 4.23778 7.02029 10.7187 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 6.59305 4.88998 5.38637 11.3437 9.38131 13.378 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 6.59305 5.87189 6.55759 11.3437 9.38131 10.4966 numMergedOcc 0
39 mol 238 unq 2 iso 0 dist 9.13022 4.67735 7.67322 5.6469 7.39547 5.71717 numMergedOcc 0
40 mol 267 unq 0 iso 0 dist 7.08658 7.04458 8.76007 5.77405 6.32877 11.5903 numMergedOcc 0
41 mol 267 unq 1 iso 0 dist 7.08658 7.04458 8.76007 4.1335 9.48115 9.15724 numMergedOcc 0
42 mol 267 unq 2 iso 0 dist 7.08658 7.04458 8.76007 8.68243 8.38545 5.65969 numMergedOcc 0
43 mol 267 unq 3 iso 0 dist 7.08658 7.04458 8.76007 11.0291 5.08174 9.22276 numMergedOcc 0
44 mol 267 unq 4 iso 0 dist 7.08658 7.04458 8.76007 9.75651 6.10838 6.06209 numMergedOcc 0
45 mol 267 unq 5 iso 0 dist 9.18446 14.0558 8.76007 14.8343 6.32877 11.5903 numMergedOcc 0
46 mol 267 unq 6 iso 0 dist 9.18446 14.0558 8.76007 18.2642 9.48115 9.15724 numMergedOcc 0
47 mol 267 unq 7 iso 0 dist 9.18446 14.0558 8.76007 10.1462 8.38545 5.65969 numMergedOcc 0
48 mol 267 unq 8 iso 0 dist 9.18446 14.0558 8.76007 6.43871 5.08174 9.22276 numMergedOcc 0
49 mol 267 unq 9 iso 0 dist 9.18446 14.0558 8.76007 9.03513 6.10838 6.06209 numMergedOcc 0
50 mol 267 unq 10 iso 0 dist 6.60591 10.3309 8.76007 11.9524 6.32877 11.5903 numMergedOcc 0
51 mol 267 unq 11 iso 0 dist 6.60591 10.3309 8.76007 14.5766 9.48115 9.15724 numMergedOcc 0
52 mol 267 unq 12 iso 0 dist 6.60591 10.3309 8.76007 6.09744 8.38545 5.65969 numMergedOcc 0
53 mol 267 unq 13 iso 0 dist 6.60591 10.3309 8.76007 5.40798 5.08174 9.22276 numMergedOcc 0
54 mol 267 unq 14 iso 0 dist 6.60591 10.3309 8.76007 6.6853 6.10838 6.06209 numMergedOcc 0
55 mol 274 unq 0 iso 0 dist 8.92239 5.98235 7.97444 4.81089 9.23897 5.58776 numMergedOcc 0
