0 mol 28 unq 0 iso 0 dist 5.98169 11.1462 9.17482 10.4595 6.37119 5.63315 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.3038 5.03701 9.63353 6.73143 3.98123 6.13181 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 8.11993 10.8479 9.08732 16.1831 11.2933 7.51138 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 8.11993 10.8479 9.08732 12.7989 5.31762 9.86843 numMergedOcc 0
4 mol 90 unq 2 iso 0 dist 8.11993 10.8479 9.08732 11.6034 5.06489 6.86146 numMergedOcc 0
5 mol 90 unq 3 iso 0 dist 8.11993 10.8479 9.08732 4.85949 5.30747 8.83296 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 6.66313 10.5129 7.62197 14.4475 10.7475 8.03035 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 6.3646 12.2055 7.62197 13.2368 10.7475 8.03035 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 6.91039 12.3932 7.22 9.41488 5.42311 5.73236 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 5.24882 5.70958 5.66207 10.7752 7.87644 5.73236 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.3776 11.3807 9.70575 16.7471 9.43672 8.60521 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 7.71959 9.29952 9.48674 17.1978 13.909 8.60521 numMergedOcc 0
12 mol 152 unq 2 iso 0 dist 7.71959 9.29952 9.48674 11.5127 6.69469 6.39031 numMergedOcc 0
13 mol 159 unq 0 iso 0 dist 8.11352 3.8462 8.12238 10.919 5.64425 8.99983 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.89804 14.662 8.46395 17.8507 9.42515 7.23293 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 9.28442 7.05903 7.06636 9.07517 5.43768 6.22972 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 9.3032 9.55026 5.13892 8.26119 7.82899 5.52678 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 9.3032 5.81844 8.2232 8.26119 7.82899 9.81666 numMergedOcc 0
18 mol 194 unq 2 iso 0 dist 8.10451 7.42146 5.13892 9.10338 7.82899 5.52678 numMergedOcc 0
19 mol 194 unq 3 iso 0 dist 8.10451 14.7061 8.2232 9.10338 7.82899 9.81666 numMergedOcc 0
20 mol 194 unq 4 iso 0 dist 6.6747 7.42146 5.78717 9.10338 10.0237 5.52678 numMergedOcc 0
21 mol 194 unq 5 iso 0 dist 6.28412 10.9095 5.78717 15.9115 10.0237 5.52678 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 4.15692 6.64602 8.38453 14.1515 14.8966 8.55481 numMergedOcc 0
23 mol 281 unq 0 iso 0 dist 6.22003 5.33371 8.2659 9.51226 9.3694 4.95189 numMergedOcc 0
