0 mol 34 unq 0 iso 0 dist 7.10899 13.0514 6.87871 5.70643 7.78892 14.5506 11.7558 5.3372 6.17472 11.9492 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 4.99287 8.03754 8.75469 11.1748 9.69698 8.58709 7.67459 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.38387 7.67926 9.74445 4.99287 8.03754 8.75469 11.0563 5.90113 7.53564 10.5084 numMergedOcc 0
3 mol 122 unq 0 iso 0 dist 6.78949 9.13822 8.33083 4.24711 8.75778 13.1171 16.8397 11.9943 9.44209 20.0437 numMergedOcc 0
4 mol 122 unq 1 iso 0 dist 9.40018 3.45209 8.33083 13.7131 8.75778 13.1171 10.9845 11.9943 9.44209 20.0437 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 4.81561 8.41774 7.53439 12.9009 9.50073 8.84852 9.27341 numMergedOcc 0
6 mol 214 unq 0 iso 0 dist 9.51764 15.3761 8.49704 8.79059 9.92165 17.1631 14.1717 5.68711 5.69733 15.5551 numMergedOcc 0
7 mol 214 unq 1 iso 0 dist 5.36829 8.72971 8.49704 10.6379 9.92165 17.1631 7.71569 5.68711 5.69733 15.5551 numMergedOcc 0
8 mol 249 unq 0 iso 0 dist 6.37672 11.3437 7.29898 7.08836 6.26142 10.254 14.6348 8.68833 5.66519 12.1703 numMergedOcc 0
9 mol 249 unq 1 iso 0 dist 6.37672 13.0712 8.91685 7.08836 6.26142 8.81984 14.6348 8.68833 6.50067 12.1703 numMergedOcc 0
10 mol 249 unq 2 iso 0 dist 8.94023 11.2158 7.29898 9.91022 6.26142 10.254 15.7594 8.68833 5.66519 12.1703 numMergedOcc 0
11 mol 249 unq 3 iso 0 dist 8.94023 13.8209 8.91685 9.91022 6.26142 8.81984 15.7594 8.68833 6.50067 12.1703 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 5.73834 3.95075 8.58088 5.66907 9.04358 5.27718 6.41167 5.13233 6.59521 8.73425 numMergedOcc 0
13 mol 274 unq 0 iso 0 dist 8.49076 5.66978 9.02749 5.02003 8.88221 10.3702 10.81 11.3084 7.59956 14.7727 numMergedOcc 0
14 mol 274 unq 1 iso 0 dist 8.49076 5.66978 9.02749 5.02003 8.88221 10.3702 12.493 16.897 8.05503 17.417 numMergedOcc 0
15 mol 274 unq 2 iso 0 dist 8.49076 5.66978 9.02749 5.02003 8.88221 10.3702 7.03782 13.8866 5.59151 11.7974 numMergedOcc 0
16 mol 274 unq 3 iso 0 dist 8.49076 5.66978 9.02749 12.6116 9.65027 14.5909 10.81 11.3084 7.59956 19.979 numMergedOcc 0
17 mol 274 unq 4 iso 0 dist 8.49076 5.66978 9.02749 12.6116 9.65027 14.5909 12.493 16.897 8.05503 21.3244 numMergedOcc 0
18 mol 274 unq 5 iso 0 dist 8.49076 5.66978 9.02749 12.6116 9.65027 14.5909 7.03782 13.8866 5.59151 18.3035 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 9.29635 15.5244 6.90434 12.5633 4.81916 5.95045 24.5235 16.2915 9.42812 13.9579 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 7.74162 11.6227 8.13489 6.30894 9.24472 12.9291 12.0665 5.31331 8.66917 10.9187 numMergedOcc 0
