0 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 12.5063 6.88552 9.30471 9.05346 6.2983 7.03948 10.3757 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.88695 5.3315 8.34347 11.0942 12.8257 9.80897 9.97117 7.23546 6.73162 11.1917 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.88695 5.3315 8.34347 10.3023 8.70636 8.37225 9.97117 7.23546 6.73162 6.0365 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.65344 13.1729 7.71095 19.3836 13.0222 9.83775 10.6421 5.3525 8.24062 9.25208 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 8.6338 11.2947 8.44473 12.9951 5.83489 8.76003 10.8911 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 7.52103 6.16737 6.72123 8.6338 4.78811 8.44473 12.9951 7.39396 8.76003 10.8911 numMergedOcc 0
6 mol 61 unq 2 iso 0 dist 8.46556 4.90701 6.72123 7.31677 4.78811 8.44473 11.0903 7.39396 8.76003 10.8911 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.02717 6.75472 5.83991 5.73946 4.75197 7.9258 13.1716 10.9739 7.76729 10.8105 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 9.73038 5.34829 9.47554 11.5756 4.68409 7.92688 6.61857 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 5.82404 5.37072 8.00618 9.73038 9.67676 9.47554 11.5756 12.2037 7.92688 6.61857 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 9.76194 10.8374 7.7544 6.17129 6.7991 4.93785 5.20775 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 15.8383 12.8561 7.49783 14.5909 9.36098 7.06793 4.76056 numMergedOcc 0
12 mol 224 unq 1 iso 0 dist 8.39002 9.98893 8.95269 15.8383 12.8561 7.49783 11.3096 5.29877 6.67585 10.7068 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 17.3137 10.9533 8.27093 16.431 9.13836 8.17891 6.92493 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 9.89665 11.247 7.68742 10.752 13.7246 7.87233 10.3034 11.3552 5.34718 4.71339 numMergedOcc 0
15 mol 236 unq 1 iso 0 dist 5.66569 4.15973 6.27581 9.51001 10.5269 7.87233 6.98151 6.04825 5.34718 4.71339 numMergedOcc 0
16 mol 236 unq 2 iso 0 dist 6.11137 9.01197 6.27581 12.9622 10.5269 7.87233 9.91572 6.04825 5.34718 4.71339 numMergedOcc 0
