0 mol 15 unq 0 iso 0 dist 6.82187 7.49229 5.89412 12.0227 11.0528 7.07399 8.3794 9.75966 6.03257 4.39605 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.60595 7.11548 6.42748 12.0433 11.7498 7.48342 8.37378 10.1154 6.03257 4.29582 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.41045 10.4834 8.40416 13.3505 7.67038 7.75618 11.0283 4.64838 9.95212 4.97119 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.0319 15.2997 7.29868 23.5364 15.5315 8.4051 13.1713 6.66749 6.72323 12.176 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.0319 15.2997 7.29868 15.5112 10.0952 8.60554 13.1713 6.66749 6.72323 14.012 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 6.12361 6.76331 6.46104 10.117 7.96502 7.36856 5.56687 7.23703 6.93197 5.81765 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 7.689 12.5859 7.01812 11.1764 5.88134 8.30845 11.1456 10.6848 9.5057 15.3454 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.22737 10.6748 8.30845 12.7823 5.88134 7.01812 17.1976 15.3454 9.5057 10.6848 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.97762 11.4871 6.16242 15.4305 7.81217 5.87634 11.0921 12.131 8.95662 14.8102 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.86784 12.3839 7.80532 13.8807 5.79898 5.83771 11.6726 5.71679 6.40575 4.60632 numMergedOcc 0
10 mol 226 unq 0 iso 0 dist 9.30975 4.66376 8.80683 9.14028 5.16662 6.11704 6.45143 7.92585 5.70795 7.554 numMergedOcc 0
11 mol 226 unq 1 iso 0 dist 9.14028 4.66376 6.11704 9.30975 5.16662 8.80683 6.45143 7.554 5.70795 7.92585 numMergedOcc 0
12 mol 249 unq 0 iso 0 dist 6.26142 9.55793 5.48118 10.7059 5.3927 7.25858 13.5563 9.0676 5.9627 6.56117 numMergedOcc 0
13 mol 274 unq 0 iso 0 dist 8.41236 11.7852 7.46394 17.5092 10.501 9.45514 15.2385 11.1602 7.75216 6.52035 numMergedOcc 0
14 mol 274 unq 1 iso 0 dist 8.41236 11.7852 7.46394 16.1637 14.3919 8.91672 15.2385 11.1602 7.75216 5.58338 numMergedOcc 0
15 mol 274 unq 2 iso 0 dist 8.41236 11.7852 7.46394 11.0949 6.15918 7.1729 15.2385 11.1602 7.75216 5.71192 numMergedOcc 0
