0 mol 9 unq 0 iso 0 dist 7.9944 8.48677 9.06304 13.4295 14.1443 8.59513 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.9944 8.48677 9.06304 13.4414 14.972 6.59312 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.72502 8.60554 6.99746 13.2846 13.1457 7.85986 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.72502 8.60554 6.99746 12.3897 11.1639 4.30252 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 4.93188 8.70827 9.75636 13.0224 13.5086 8.67426 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 9.24958 9.12854 9.75636 10.0711 13.5086 8.67426 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 6.54016 11.9789 7.54574 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.74854 7.5242 8.53212 11.2206 11.9789 7.54574 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 6.45283 10.8548 9.38036 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 9.74542 9.91993 7.23332 4.73245 12.1586 9.17462 numMergedOcc 0
10 mol 148 unq 1 iso 0 dist 9.74542 9.91993 7.23332 11.5545 11.3234 8.74878 numMergedOcc 0
11 mol 148 unq 2 iso 0 dist 9.74542 6.22055 7.89336 4.73245 12.1586 5.75959 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 9.6606 9.96691 7.35366 4.73768 12.0071 9.01668 numMergedOcc 0
13 mol 150 unq 1 iso 0 dist 9.6606 9.96691 7.35366 11.5728 11.3798 8.74018 numMergedOcc 0
14 mol 150 unq 2 iso 0 dist 9.6606 6.14675 7.86976 4.73768 12.0071 5.4798 numMergedOcc 0
15 mol 150 unq 3 iso 0 dist 9.6606 9.24244 11.8012 4.73768 12.0071 6.32391 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.51749 8.90963 13.0913 11.618 17.8064 9.20617 numMergedOcc 0
17 mol 188 unq 0 iso 0 dist 8.57261 7.14503 5.0782 8.02684 6.18257 8.34477 numMergedOcc 0
18 mol 188 unq 1 iso 0 dist 8.57261 8.10214 5.87427 8.02684 6.18257 8.4784 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 12.8006 12.7017 8.43182 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 8.10985 6.34616 9.86517 4.27652 5.20846 8.78623 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 5.60393 5.44002 8.46033 4.30308 5.19567 7.13824 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 8.70977 7.75885 10.7023 3.56132 12.1176 7.9416 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 8.48341 9.07471 7.92402 6.70898 13.4361 9.30639 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 4.67058 10.0126 7.26232 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 9.1925 9.63959 4.22544 4.83605 9.12447 9.36974 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 6.70815 7.21311 8.10604 11.9728 16.5562 9.36974 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 7.67245 6.62841 13.537 9.26354 16.4866 8.1769 numMergedOcc 0
28 mol 278 unq 1 iso 0 dist 7.67245 6.62841 13.537 5.33325 12.4248 7.1656 numMergedOcc 0
