0 mol 11 unq 0 iso 0 dist 5.59847 5.51815 6.54358 6.20956 6.74026 6.89666 6.49709 4.10106 4.61088 4.73237 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 8.15039 7.70367 9.03564 11.9795 7.2452 7.20538 11.5793 6.75591 8.66265 6.93876 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 5.32773 12.9469 8.80934 12.264 7.09333 8.89481 10.8115 5.70579 5.86073 4.36935 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 9.90992 12.718 7.69765 13.4247 5.33827 5.02717 18.5013 10.3209 7.30858 5.28901 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 9.90992 12.718 7.69765 13.4247 5.33827 5.02717 9.79979 4.48636 5.83991 6.75472 numMergedOcc 0
5 mol 115 unq 2 iso 0 dist 9.90992 12.718 7.69765 13.4247 5.33827 5.02717 16.7328 11.835 7.88312 11.0268 numMergedOcc 0
6 mol 205 unq 0 iso 0 dist 6.32553 9.40714 6.52816 10.1878 6.96644 5.96555 13.7769 9.49403 6.03031 4.6995 numMergedOcc 0
7 mol 205 unq 1 iso 0 dist 6.32553 9.40714 6.52816 10.1878 6.96644 5.96555 16.4532 13.514 7.26832 10.7091 numMergedOcc 0
8 mol 205 unq 2 iso 0 dist 6.32553 9.40714 6.52816 10.1878 6.96644 5.96555 9.25882 3.56269 7.80463 5.87892 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 7.71199 4.8419 8.2123 4.17978 4.94998 7.16386 10.5119 4.49451 9.41367 9.02283 numMergedOcc 0
10 mol 222 unq 0 iso 0 dist 8.63804 4.81906 5.56538 10.8365 4.91709 7.85877 11.4413 6.84862 7.21333 4.82768 numMergedOcc 0
11 mol 222 unq 1 iso 0 dist 8.61619 4.81906 7.48954 10.8365 5.96186 7.85877 11.4413 9.53117 7.21333 4.82768 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 9.90415 6.52416 7.27993 12.18 3.72432 8.6537 6.32302 5.70473 8.22528 8.65216 numMergedOcc 0
13 mol 229 unq 1 iso 0 dist 9.90415 6.52416 7.27993 12.18 3.72432 8.6537 6.88694 7.22525 7.03423 10.7439 numMergedOcc 0
14 mol 229 unq 2 iso 0 dist 9.90415 12.9522 6.95201 12.18 3.72432 5.57702 13.808 4.61227 9.87838 6.21233 numMergedOcc 0
15 mol 229 unq 3 iso 0 dist 5.96615 6.81165 7.27993 4.38586 3.72432 8.6537 8.53615 5.70473 8.22528 8.65216 numMergedOcc 0
16 mol 229 unq 4 iso 0 dist 5.96615 6.81165 7.27993 4.38586 3.72432 8.6537 11.0334 7.22525 7.03423 10.7439 numMergedOcc 0
17 mol 229 unq 5 iso 0 dist 5.96615 6.21905 6.95201 4.38586 3.72432 5.57702 9.97251 4.61227 9.87838 6.21233 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 9.73257 14.9272 7.81215 12.9322 9.8663 7.86368 21.1847 12.4252 9.45496 12.0816 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 9.73257 14.9272 7.81215 12.9322 9.8663 7.86368 13.4679 5.75498 6.7625 6.94762 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 7.88009 9.57081 8.9682 15.8242 12.2421 9.29635 16.2514 17.6038 9.7748 10.8075 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 5.80061 9.57081 6.92711 15.8242 10.9521 9.29635 16.2514 14.772 9.7748 10.8075 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 7.48212 5.0721 7.20674 12.7886 8.88312 9.20416 10.0145 7.8414 8.2734 5.26243 numMergedOcc 0
23 mol 292 unq 1 iso 0 dist 7.48212 5.0721 7.20674 7.60019 10.0594 7.53641 10.0145 7.8414 8.2734 5.58251 numMergedOcc 0
