0 mol 5 unq 0 iso 0 dist 5.63583 9.8143 7.05332 6.46284 9.59917 15.7348 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 9.48375 8.73916 11.0337 9.40953 17.1356 8.5389 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 9.48375 8.73916 11.0337 9.57896 16.6725 10.0318 numMergedOcc 0
3 mol 27 unq 2 iso 0 dist 9.48375 5.66337 8.81543 9.40953 17.1356 10.0251 numMergedOcc 0
4 mol 27 unq 3 iso 0 dist 9.48375 5.66337 8.81543 9.57896 16.6725 12.8706 numMergedOcc 0
5 mol 27 unq 4 iso 0 dist 6.85127 8.73916 5.59799 9.40953 12.1419 8.5389 numMergedOcc 0
6 mol 27 unq 5 iso 0 dist 6.85127 8.73916 5.59799 9.57896 12.5927 10.0318 numMergedOcc 0
7 mol 27 unq 6 iso 0 dist 6.85127 5.66337 5.08283 9.40953 12.1419 10.0251 numMergedOcc 0
8 mol 27 unq 7 iso 0 dist 6.85127 5.66337 5.08283 9.57896 12.5927 12.8706 numMergedOcc 0
9 mol 27 unq 8 iso 0 dist 8.58169 8.73916 4.69455 9.40953 5.68274 8.5389 numMergedOcc 0
10 mol 27 unq 9 iso 0 dist 8.58169 8.73916 4.69455 9.57896 5.5733 10.0318 numMergedOcc 0
11 mol 27 unq 10 iso 0 dist 8.58169 5.66337 9.31045 9.40953 5.68274 10.0251 numMergedOcc 0
12 mol 27 unq 11 iso 0 dist 8.58169 5.66337 9.31045 9.57896 5.5733 12.8706 numMergedOcc 0
13 mol 36 unq 0 iso 0 dist 4.10339 7.23823 9.64155 6.1084 9.13645 7.55403 numMergedOcc 0
14 mol 69 unq 0 iso 0 dist 8.44753 8.09271 7.3232 9.04548 11.6088 8.48585 numMergedOcc 0
15 mol 86 unq 0 iso 0 dist 8.4254 8.8236 11.1987 7.19148 7.36782 4.50855 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 9.15982 7.35639 14.849 6.68983 5.33859 11.1196 numMergedOcc 0
17 mol 124 unq 0 iso 0 dist 6.31232 7.3864 6.14262 9.18988 10.4469 6.657 numMergedOcc 0
18 mol 124 unq 1 iso 0 dist 6.79597 7.18643 9.59067 8.89976 5.18107 10.0242 numMergedOcc 0
19 mol 124 unq 2 iso 0 dist 7.17224 7.3864 8.25721 9.18988 5.18107 6.657 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 4.46578 6.53862 8.13581 8.64976 4.97581 8.8108 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 4.46578 6.53862 8.13581 9.52159 7.96289 5.94139 numMergedOcc 0
22 mol 148 unq 0 iso 0 dist 5.86949 8.91834 11.7686 9.23896 8.49619 8.33923 numMergedOcc 0
23 mol 148 unq 1 iso 0 dist 5.86949 8.91834 11.7686 6.02506 8.01366 4.05566 numMergedOcc 0
24 mol 150 unq 0 iso 0 dist 5.84971 8.84061 11.6581 9.46439 8.69407 8.49102 numMergedOcc 0
25 mol 150 unq 1 iso 0 dist 5.84971 8.84061 11.6581 6.07854 8.04136 3.92044 numMergedOcc 0
26 mol 158 unq 0 iso 0 dist 6.45502 7.75233 8.35641 6.22696 7.41724 4.12311 numMergedOcc 0
27 mol 168 unq 0 iso 0 dist 9.58783 9.6856 17.0492 4.68544 13.7197 10.5275 numMergedOcc 0
28 mol 180 unq 0 iso 0 dist 9.46309 9.9195 10.9958 9.80157 5.83274 7.78925 numMergedOcc 0
29 mol 184 unq 0 iso 0 dist 9.0757 7.73442 15.8237 9.53656 13.9278 6.63015 numMergedOcc 0
30 mol 184 unq 1 iso 0 dist 9.0757 7.73442 15.8237 7.06562 11.2707 10.6362 numMergedOcc 0
31 mol 233 unq 0 iso 0 dist 7.5099 6.58227 4.40152 9.28828 7.79921 4.5423 numMergedOcc 0
