0 mol 7 unq 0 iso 0 dist 9.8603 9.33944 6.22805 14.6665 7.10621 6.96396 16.2118 7.12508 11.1727 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 9.33944 6.22805 14.6665 7.10621 6.96396 18.9985 11.143 13.8869 7.67927 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 5.95165 5.51164 6.40513 3.77561 4.61088 5.9863 6.50001 4.10106 9.33059 6.54358 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.6396 16.5953 8.23292 5.8503 5.04899 12.4427 5.77745 6.47509 14.1443 7.05196 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.65047 15.0981 9.40559 5.69671 8.03644 11.8978 12.0576 15.6249 15.1845 8.27883 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 9.65047 15.0981 9.40559 5.69671 8.03644 11.8978 10.4457 12.4896 15.1965 5.75428 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 9.65047 15.0981 9.40559 5.69671 8.03644 11.8978 9.70292 14.2178 20.1016 8.57395 numMergedOcc 0
7 mol 95 unq 3 iso 0 dist 9.65047 15.0981 9.40559 5.69671 8.03644 11.8978 9.59704 8.78079 17.7481 9.85409 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.35868 5.58465 7.44784 8.25001 7.30858 7.64822 15.2429 10.3209 14.5979 7.69765 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 9.35868 5.58465 7.44784 8.25001 7.30858 7.64822 16.2777 15.3161 14.1895 9.42082 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 4.98864 9.35695 9.56867 6.59772 6.11741 9.97256 9.47795 6.07067 14.1895 6.39384 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 4.98864 9.35695 9.56867 10.9437 7.88312 7.64822 16.4805 11.835 14.5979 7.69765 numMergedOcc 0
12 mol 115 unq 4 iso 0 dist 4.98864 9.35695 9.56867 10.9437 7.88312 7.64822 9.47795 6.07067 14.1895 9.42082 numMergedOcc 0
13 mol 115 unq 5 iso 0 dist 7.95871 11.703 9.56867 4.86477 6.11741 9.97256 9.29473 6.07067 14.1895 6.39384 numMergedOcc 0
14 mol 115 unq 6 iso 0 dist 7.95871 11.703 9.56867 12.0354 7.88312 7.64822 17.9091 11.835 14.5979 7.69765 numMergedOcc 0
15 mol 115 unq 7 iso 0 dist 7.95871 11.703 9.56867 12.0354 7.88312 7.64822 9.29473 6.07067 14.1895 9.42082 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 5.49877 7.43279 9.05626 3.96103 8.70949 7.09664 5.82945 4.97996 9.67398 6.93139 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 9.60411 10.6313 5.67862 10.5108 6.37586 9.52819 12.3555 10.8635 16.1624 9.33094 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 9.60411 10.6313 5.67862 6.20443 9.71307 12.4156 14.5777 15.0225 19.6139 9.1998 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 9.60411 10.6313 5.67862 6.20443 9.71307 12.4156 12.3555 10.8635 16.1624 8.69531 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 8.30654 11.7934 7.5984 11.3469 5.99315 5.11989 12.027 4.78563 9.33882 5.37047 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 5.59806 5.30254 7.83781 8.66436 9.87651 6.43506 10.7297 7.87971 10.4953 7.20495 numMergedOcc 0
22 mol 167 unq 1 iso 0 dist 5.59806 5.30254 7.83781 8.66436 9.87651 6.43506 11.298 12.0033 13.3506 9.2289 numMergedOcc 0
23 mol 167 unq 2 iso 0 dist 5.59806 5.30254 7.83781 8.66436 9.87651 6.43506 11.5835 11.6011 12.2826 7.02548 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 9.55777 12.6689 8.69148 16.4881 7.21333 9.97859 15.2698 6.84862 13.422 5.56538 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 9.55777 12.6689 8.69148 16.4881 7.21333 9.97859 16.9252 9.53117 15.096 7.48954 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 9.05929 6.0905 6.73134 4.32403 8.04248 5.52669 10.5185 4.66414 9.67162 8.23087 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.94315 15.8036 7.98022 12.521 5.72887 6.3873 7.13727 7.06793 14.5078 9.72188 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 8.59074 12.1988 7.98022 9.18011 5.72887 6.3873 8.56975 7.06793 14.5078 9.72188 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 6.2365 6.12122 7.98022 4.7157 5.72887 6.3873 10.5721 7.06793 14.5078 9.72188 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 8.06771 5.73217 6.96379 6.64729 8.13497 10.908 13.9131 8.8603 15.148 9.07743 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 8.06771 5.73217 6.96379 9.79538 7.88519 12.7595 14.2921 7.20604 13.0667 9.63573 numMergedOcc 0
32 mol 259 unq 2 iso 0 dist 8.06771 5.73217 6.96379 9.79538 7.88519 12.7595 13.9131 8.8603 15.148 7.66153 numMergedOcc 0
