0 mol 58 unq 0 iso 0 dist 6.88243 12.0778 7.03126 10.0009 3.6461 7.60018 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 7.80026 14.6616 8.35444 19.8641 13.6068 6.52887 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 9.56474 10.2536 6.52887 18.4043 13.6068 8.35444 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 6.44825 13.1761 8.96498 19.3983 15.3956 7.5228 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.11547 5.26193 9.84457 10.3127 5.04906 9.51318 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 9.70788 13.1446 8.18023 15.1527 10.1474 7.46803 numMergedOcc 0
6 mol 173 unq 0 iso 0 dist 6.95244 8.94838 8.62366 10.4446 6.03503 9.44973 numMergedOcc 0
7 mol 173 unq 1 iso 0 dist 6.95244 8.94838 8.62366 6.11224 7.19559 6.52508 numMergedOcc 0
8 mol 173 unq 2 iso 0 dist 6.11224 8.94838 6.52508 6.95244 7.19559 8.62366 numMergedOcc 0
9 mol 173 unq 3 iso 0 dist 6.11224 8.94838 6.52508 10.4446 6.51246 9.44973 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 8.39573 11.4382 6.76746 17.7213 11.196 9.09234 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 8.39573 11.4382 6.76746 11.1521 3.55187 8.92098 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 8.94981 13.2718 8.91356 10.5726 9.9109 9.57455 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 8.68934 8.2025 8.27411 13.1771 15.1017 6.96257 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 8.31815 15.7932 9.08687 16.8758 9.64248 9.82327 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 8.31815 15.7932 9.08687 15.3291 8.33582 7.06768 numMergedOcc 0
16 mol 254 unq 0 iso 0 dist 8.98141 9.73337 9.66641 11.0421 3.42946 9.26575 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 8.40328 10.0667 6.23661 16.1651 8.0048 8.84648 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 5.38409 10.6582 8.84523 13.4795 9.5745 6.95241 numMergedOcc 0
19 mol 272 unq 1 iso 0 dist 8.45524 5.96784 8.84523 9.66055 9.5745 6.95241 numMergedOcc 0
20 mol 272 unq 2 iso 0 dist 9.66055 5.96784 6.95241 8.45524 9.5745 8.84523 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 7.32002 10.5538 6.1905 10.0955 4.99426 5.84792 numMergedOcc 0
22 mol 292 unq 1 iso 0 dist 7.32002 10.5538 6.1905 11.841 8.21724 8.73515 numMergedOcc 0
