0 mol 17 unq 0 iso 0 dist 9.84612 5.70783 7.82406 11.1103 7.25951 6.31299 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.84763 10.6287 7.3022 9.17361 6.93197 6.78223 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.74242 9.01242 7.22361 5.5994 7.35861 7.52321 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.74242 7.89464 6.15893 5.5994 7.35861 7.26595 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.98862 6.13477 4.62858 7.99155 8.5315 5.52033 numMergedOcc 0
5 mol 32 unq 1 iso 0 dist 5.78878 4.99112 4.62858 5.49317 8.5315 5.52033 numMergedOcc 0
6 mol 32 unq 2 iso 0 dist 7.98414 6.44894 4.62858 10.6064 8.5315 5.52033 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 7.27601 16.3901 9.83981 4.95654 8.42878 16.0864 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 7.27601 11.226 6.13559 4.95654 8.42878 11.1434 numMergedOcc 0
9 mol 114 unq 2 iso 0 dist 7.27601 7.41949 6.51395 4.95654 8.42878 4.41568 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 9.38149 6.31583 7.75012 3.78348 7.48321 3.98036 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.21272 13.0233 6.87262 5.30646 6.84835 10.6436 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 8.21272 13.0233 6.87262 14.1825 8.42748 9.01682 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.89987 13.7713 9.06217 5.16569 7.32087 10.6325 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 9.89987 13.7713 9.06217 14.8476 8.86197 8.15174 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 9.89987 9.77651 7.13252 5.16569 7.32087 8.45963 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 9.89987 9.77651 7.13252 14.8476 8.86197 11.047 numMergedOcc 0
17 mol 181 unq 4 iso 0 dist 9.91457 9.29611 7.05653 4.92197 9.92471 9.67649 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 9.71614 5.10844 7.33225 9.80925 6.60053 8.38671 numMergedOcc 0
19 mol 192 unq 1 iso 0 dist 9.71614 5.10844 7.33225 13.4246 9.36796 11.0721 numMergedOcc 0
20 mol 192 unq 2 iso 0 dist 8.81185 5.36014 7.33225 5.47621 6.60053 8.38671 numMergedOcc 0
21 mol 192 unq 3 iso 0 dist 8.81185 5.36014 7.33225 8.27422 9.36796 11.0721 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 8.70651 14.7996 7.17337 14.8728 9.78181 5.12599 numMergedOcc 0
23 mol 232 unq 1 iso 0 dist 8.70651 14.7996 7.17337 4.03628 9.8664 16.1253 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 6.38654 12.2552 7.04753 3.99122 5.92374 9.71156 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 9.77185 5.27441 7.04753 11.3383 5.92374 9.71156 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 6.99454 7.27547 5.40318 8.9809 8.984 6.88401 numMergedOcc 0
27 mol 271 unq 0 iso 0 dist 8.97962 6.75816 5.81266 5.88597 5.92274 4.51983 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 9.44925 12.6974 5.80452 11.4465 6.73712 4.12456 numMergedOcc 0
29 mol 280 unq 1 iso 0 dist 9.44925 12.6974 5.80452 5.31758 9.35704 10.4684 numMergedOcc 0
30 mol 280 unq 2 iso 0 dist 9.44925 10.4861 7.82157 11.4465 6.73712 9.56032 numMergedOcc 0
31 mol 280 unq 3 iso 0 dist 9.44925 10.4861 7.82157 5.31758 9.35704 6.37191 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 9.95662 12.6659 6.61376 6.4111 7.34931 6.76453 numMergedOcc 0
