0 mol 7 unq 0 iso 0 dist 6.22805 6.96396 7.10621 13.6699 10.789 7.31201 11.1727 7.12508 6.1206 4.40641 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.22805 6.96396 7.10621 13.6699 10.789 7.31201 13.8869 11.143 7.67927 5.03278 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.22805 6.96396 7.10621 13.3157 10.515 9.36807 11.1727 7.12508 6.1206 7.92429 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 6.22805 6.96396 7.10621 13.3157 10.515 9.36807 13.8869 11.143 7.67927 11.2233 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 7.46752 5.66097 7.63133 9.47421 5.94084 5.47769 12.8674 9.81307 8.43054 4.68733 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 7.76275 13.1838 9.36773 15.1128 8.4283 8.66514 15.8947 12.1193 7.80898 7.15936 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 7.76275 13.1838 9.36773 13.0642 5.37521 9.25235 15.8947 12.1193 7.80898 10.8763 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.57498 6.89762 6.45675 6.0026 7.2495 8.72704 13.3196 5.43561 7.82475 12.5061 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.57498 6.89762 6.45675 6.0026 7.2495 8.72704 11.3211 6.30222 5.35782 12.1093 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 12.3154 11.3902 8.66155 14.5979 10.3209 7.69765 9.13361 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 7.44784 7.64822 7.30858 12.3154 11.3902 8.66155 14.1895 15.3161 9.42082 6.49835 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 9.56867 9.97256 6.11741 12.3154 4.61908 9.66954 14.1895 6.07067 6.39384 6.49835 numMergedOcc 0
12 mol 115 unq 3 iso 0 dist 9.56867 9.97256 6.11741 17.2085 10.8939 7.64585 14.1895 6.07067 6.39384 5.65471 numMergedOcc 0
13 mol 115 unq 4 iso 0 dist 9.56867 7.64822 7.88312 12.3154 4.61908 8.66155 14.5979 11.835 7.69765 9.13361 numMergedOcc 0
14 mol 115 unq 5 iso 0 dist 9.56867 7.64822 7.88312 12.3154 4.61908 8.66155 14.1895 6.07067 9.42082 6.49835 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 7.83781 6.43506 9.87651 11.0314 6.58937 8.62646 10.4953 7.87971 7.20495 4.15547 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 7.83781 6.43506 9.87651 11.0314 6.58937 8.62646 13.3506 12.0033 9.2289 7.0046 numMergedOcc 0
17 mol 167 unq 2 iso 0 dist 7.83781 6.43506 9.87651 11.0314 6.58937 8.62646 12.2826 11.6011 7.02548 6.24722 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.63295 12.5935 7.63312 18.3583 9.60512 7.98142 17.7213 10.6474 6.64173 4.48306 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.63295 12.5935 7.63312 18.3583 9.60512 7.98142 8.39573 5.93724 9.01624 12.2513 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.63295 12.5935 7.63312 18.3583 9.60512 7.98142 11.1521 5.12833 9.55105 10.2172 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 9.63295 12.5935 7.63312 19.9229 13.3389 7.37327 17.7213 10.6474 6.64173 4.88823 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 9.63295 12.5935 7.63312 19.9229 13.3389 7.37327 8.39573 5.93724 9.01624 14.8923 numMergedOcc 0
23 mol 181 unq 5 iso 0 dist 9.63295 12.5935 7.63312 19.9229 13.3389 7.37327 11.1521 5.12833 9.55105 14.2334 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.98022 6.3873 5.72887 14.7533 13.069 9.29858 14.5078 7.06793 9.72188 11.7938 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 6.96379 12.7595 7.88519 15.1733 11.6195 7.48005 13.0667 7.20604 9.63573 9.98303 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 15.1733 11.6195 7.48005 15.148 8.8603 7.66153 14.0829 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 8.35794 5.77904 9.7748 11.7564 6.58374 9.41725 13.222 11.4555 9.35539 7.07508 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 8.35794 5.77904 9.7748 11.7564 6.58374 9.41725 9.91103 17.6038 8.9682 18.3854 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 8.35794 5.77904 9.7748 11.7564 6.58374 9.41725 7.0603 14.772 6.92711 16.1088 numMergedOcc 0
