0 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 12.5063 6.88552 9.30471 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.88695 5.3315 8.34347 11.0942 12.8257 9.80897 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.88695 5.3315 8.34347 10.3023 8.70636 8.37225 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.65344 13.1729 7.71095 19.3836 13.0222 9.83775 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 8.6338 11.2947 8.44473 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 7.52103 6.16737 6.72123 8.6338 4.78811 8.44473 numMergedOcc 0
6 mol 61 unq 2 iso 0 dist 8.46556 4.90701 6.72123 7.31677 4.78811 8.44473 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.2377 4.99283 5.93252 12.2402 4.60412 9.41049 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.18305 4.69583 6.19304 10.2641 9.59988 7.23812 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.02717 6.75472 5.83991 5.73946 4.75197 7.9258 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 6.38163 10.0961 5.83384 5.16531 6.13737 8.59695 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 6.38163 10.0961 5.83384 11.3549 5.12351 6.42706 numMergedOcc 0
12 mol 129 unq 2 iso 0 dist 9.28278 14.5776 8.54584 19.2664 10.4463 9.1987 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 9.73038 5.34829 9.47554 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 5.82404 10.2385 6.29155 15.5644 9.74121 8.97762 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 5.82404 5.37072 8.00618 9.73038 9.67676 9.47554 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 5.86531 6.26797 7.11802 12.4361 11.0256 9.1146 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 9.76194 10.8374 7.7544 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 5.96555 10.7091 7.26832 9.65143 5.04299 7.51951 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 6.752 4.2475 7.45763 9.85777 12.019 6.94789 numMergedOcc 0
20 mol 205 unq 2 iso 0 dist 6.752 4.2475 7.45763 5.05912 4.37383 6.23932 numMergedOcc 0
21 mol 205 unq 3 iso 0 dist 5.4913 6.8901 7.45763 10.4571 12.019 6.94789 numMergedOcc 0
22 mol 205 unq 4 iso 0 dist 5.4913 6.8901 7.45763 6.60429 4.37383 6.23932 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 8.62103 3.84723 6.18308 5.70065 5.4508 6.13878 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 15.8383 12.8561 7.49783 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 17.3137 10.9533 8.27093 numMergedOcc 0
26 mol 229 unq 0 iso 0 dist 8.6537 10.7439 7.03423 16.6013 9.15968 8.83023 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 9.89665 11.247 7.68742 10.752 13.7246 7.87233 numMergedOcc 0
28 mol 236 unq 1 iso 0 dist 9.05929 4.32403 8.04248 10.752 7.41812 9.44496 numMergedOcc 0
29 mol 236 unq 2 iso 0 dist 8.90987 3.82437 6.84306 8.39553 5.03564 6.61371 numMergedOcc 0
30 mol 236 unq 3 iso 0 dist 8.90987 13.8124 9.99038 14.6979 13.6195 5.90804 numMergedOcc 0
31 mol 236 unq 4 iso 0 dist 5.66569 4.15973 6.27581 9.51001 10.5269 7.87233 numMergedOcc 0
32 mol 236 unq 5 iso 0 dist 6.11137 9.01197 6.27581 12.9622 10.5269 7.87233 numMergedOcc 0
