0 mol 44 unq 0 iso 0 dist 9.60845 5.23045 7.49423 13.5161 8.68646 8.96839 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 8.5213 12.5641 9.44912 9.12636 6.36692 5.13951 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 8.5213 12.5641 9.44912 11.0117 4.44938 5.88852 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 9.56859 16.4573 7.41719 10.37 6.26218 9.24185 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 5.75135 12.8766 7.41719 10.1754 6.26218 9.24185 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 6.58814 12.7865 9.15802 13.8183 7.75947 6.23889 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.83822 13.9931 7.78914 8.565 3.3085 5.94417 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 8.83822 13.9931 7.78914 13.2238 8.27043 7.48283 numMergedOcc 0
8 mol 136 unq 0 iso 0 dist 8.59512 8.43256 8.11959 15.6003 8.69758 9.80376 numMergedOcc 0
9 mol 136 unq 1 iso 0 dist 8.59512 8.43256 8.11959 9.43436 5.34588 5.44201 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 8.25174 4.02883 6.11886 10.0147 9.93373 7.33624 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 9.16671 8.28418 6.11886 13.2371 9.93373 7.33624 numMergedOcc 0
12 mol 237 unq 0 iso 0 dist 9.33231 6.26246 5.12878 7.11512 5.16567 7.14928 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 8.53092 11.4179 7.01673 12.646 5.98994 5.55434 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 7.88108 13.9464 8.43724 21.2984 14.4804 7.76322 numMergedOcc 0
15 mol 260 unq 1 iso 0 dist 9.46576 14.8362 7.30584 14.9089 5.99357 7.71093 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 5.8898 4.86847 6.80043 6.21022 6.61195 5.8374 numMergedOcc 0
17 mol 268 unq 0 iso 0 dist 8.6577 9.86718 7.04565 12.1972 3.80726 9.73322 numMergedOcc 0
18 mol 268 unq 1 iso 0 dist 6.18877 5.28119 8.69312 6.48551 4.47392 6.14722 numMergedOcc 0
