0 mol 2 unq 0 iso 0 dist 5.5745 9.39095 6.81721 4.00237 6.90295 7.2721 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 9.00229 9.34271 15.0017 4.82623 8.30217 11.698 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 8.91902 9.56859 13.2678 8.04676 9.28702 17.2737 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 8.4545 7.29864 11.3522 8.46944 5.42067 14.2282 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 8.4545 7.7399 12.2908 8.46944 5.42067 10.8202 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 7.01176 7.29864 10.0591 8.46944 7.36435 14.2282 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 7.01176 7.7399 13.6054 8.46944 7.36435 10.8202 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.9747 9.68556 13.6536 4.48773 7.92856 6.5816 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.35636 7.39028 4.56372 3.98588 8.11702 9.29327 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 8.35636 7.39028 4.56372 12.1455 7.44558 11.0867 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 8.89481 9.86767 13.0914 5.96967 7.02367 7.02358 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 8.89481 9.86767 13.0914 7.52951 9.30832 13.6813 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 7.04864 8.03124 3.35803 4.74539 6.42623 6.98791 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 7.04864 8.03124 3.35803 11.4443 8.95899 11.3644 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 8.67193 8.40319 7.16564 12.0363 8.111 14.8469 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 7.07224 8.00119 8.21023 3.4049 9.96536 10.9876 numMergedOcc 0
16 mol 183 unq 1 iso 0 dist 7.07224 5.50896 4.68341 3.4049 9.96536 8.90812 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 6.25429 8.3151 12.1426 7.96489 4.67869 15.6449 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 9.56029 9.4726 5.00324 8.56792 9.43618 13.0017 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 6.44212 5.17335 4.61469 3.71488 4.43499 6.09626 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.29635 5.11998 7.75371 7.31817 4.9764 7.98956 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 9.29635 5.11998 7.75371 3.91224 6.36559 5.86185 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 9.29635 5.79925 11.3546 7.31817 4.9764 11.2004 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 9.29635 5.79925 11.3546 3.91224 6.36559 8.41856 numMergedOcc 0
