0 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 8.70141 4.33963 5.11135 9.24958 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 5.97432 10.1525 6.86525 6.90155 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.87281 8.27137 14.1577 5.59268 12.4135 4.79873 5.97432 7.63409 6.86525 6.90155 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 7.63928 8.27137 14.321 5.59268 11.6743 4.79873 5.97432 8.4666 6.86525 6.90155 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 7.20538 7.93171 9.96534 7.82856 14.5295 9.2898 15.5734 21.5536 15.8558 8.63486 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 14.8479 13.1098 9.89083 18.3762 15.9335 11.0597 8.0831 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 6.48328 8.42219 8.14031 11.8122 15.8031 9.42082 15.7691 18.3104 10.5109 5.72642 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 3.96103 8.70949 6.93139 7.39532 5.97111 6.76477 8.33077 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 6.31125 9.10434 3.98662 5.6098 8.40312 9.27976 10.1423 5.89022 5.30999 8.86329 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 7.26897 5.06116 5.68978 5.5065 11.7355 8.33439 13.113 18.4085 14.4682 7.72144 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 8.96988 6.52441 10.6555 11.7795 16.9818 7.2793 9.38115 15.2392 6.38897 9.83476 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 8.96988 6.52441 10.6555 11.7795 16.9818 7.2793 14.4117 16.1518 8.88593 6.258 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 9.94315 7.13727 7.06793 12.521 5.72887 9.72188 16.6013 12.3808 13.0611 7.32982 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 8.59074 8.56975 7.06793 9.18011 5.72887 9.72188 13.3717 12.3808 13.0611 7.32982 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 5.41945 11.858 5.85442 9.30428 7.31951 7.32929 8.55558 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 9.12507 4.95855 7.09907 5.59901 5.30224 6.9899 9.30428 7.31951 7.32929 8.59697 numMergedOcc 0
16 mol 259 unq 2 iso 0 dist 9.12507 7.72489 9.71793 5.41945 11.858 6.95511 9.30428 7.31951 9.55426 8.55558 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 7.36905 9.13546 5.71153 11.5671 10.4298 9.19754 8.28871 4.48907 5.82131 6.04162 numMergedOcc 0
18 mol 264 unq 1 iso 0 dist 7.36905 9.13546 5.71153 13.8765 9.90113 8.29262 8.28871 4.48907 5.82131 6.14323 numMergedOcc 0
19 mol 264 unq 2 iso 0 dist 6.83408 9.13546 6.56539 11.5671 12.864 9.19754 8.28871 10.1591 5.82131 6.04162 numMergedOcc 0
20 mol 264 unq 3 iso 0 dist 6.83408 9.13546 6.56539 13.8765 13.9815 8.29262 8.28871 10.1591 5.82131 6.14323 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 6.55855 4.97796 8.87855 4.56913 10.7806 6.4611 9.97357 15.3247 13.4431 7.4099 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 9.52894 4.97796 13.0867 4.56913 13.5896 6.4611 9.97357 15.2633 13.4431 7.4099 numMergedOcc 0
23 mol 274 unq 2 iso 0 dist 9.71801 7.15079 11.4471 4.37547 13.9359 9.30212 6.63662 13.9495 5.85225 7.4099 numMergedOcc 0
