0 mol 4 unq 0 iso 0 dist 7.1916 9.03342 6.05231 13.1716 9.61247 7.00063 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 8.53232 10.2672 8.14267 9.44358 8.12966 2.12858 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 4.48773 5.95873 9.56911 4.78804 8.39015 6.91704 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 4.48773 4.5896 7.68053 4.78804 8.39015 7.84652 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.53179 14.1985 8.04448 5.50566 3.59451 10.9027 numMergedOcc 0
5 mol 110 unq 0 iso 0 dist 9.94311 14.516 9.71431 11.9992 8.97683 6.72551 numMergedOcc 0
6 mol 110 unq 1 iso 0 dist 9.94311 8.54627 9.50277 11.9992 8.97683 9.33806 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 8.98167 10.9338 9.90594 4.9227 8.86071 7.26787 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 8.98167 10.9338 9.90594 9.75758 9.82087 5.24052 numMergedOcc 0
9 mol 120 unq 2 iso 0 dist 6.74094 9.2673 9.90594 6.78986 8.86071 7.26787 numMergedOcc 0
10 mol 120 unq 3 iso 0 dist 6.74094 9.2673 9.90594 10.2685 9.82087 5.24052 numMergedOcc 0
11 mol 180 unq 0 iso 0 dist 9.85529 4.10999 9.26812 10.7068 8.86377 7.69346 numMergedOcc 0
12 mol 180 unq 1 iso 0 dist 9.85529 4.10999 9.26812 13.984 8.47156 13.8772 numMergedOcc 0
13 mol 180 unq 2 iso 0 dist 8.6127 13.4464 9.26812 7.9151 8.86377 7.69346 numMergedOcc 0
14 mol 180 unq 3 iso 0 dist 8.6127 13.4464 9.26812 3.74384 8.47156 13.8772 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 8.91205 3.82089 9.64864 9.17866 5.69866 11.3821 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 8.69741 15.279 8.75001 6.71673 6.32593 9.0972 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 8.69741 4.64969 6.75599 6.71673 6.32593 4.27675 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 9.20248 17.5351 9.87224 12.7518 4.21935 7.04644 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 8.69185 9.30964 6.23198 16.4987 8.66784 8.67927 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 8.69185 9.30964 6.23198 15.5171 8.3298 8.55761 numMergedOcc 0
21 mol 260 unq 2 iso 0 dist 8.69185 14.4803 8.82216 16.4987 8.66784 5.31221 numMergedOcc 0
22 mol 260 unq 3 iso 0 dist 8.69185 14.4803 8.82216 15.5171 8.3298 5.33348 numMergedOcc 0
23 mol 273 unq 0 iso 0 dist 9.64346 3.78429 9.83374 10.5914 9.36052 11.7549 numMergedOcc 0
24 mol 273 unq 1 iso 0 dist 9.64346 9.38742 5.75335 10.5914 9.36052 7.38837 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 7.47768 5.54815 9.24895 5.86409 8.76889 7.88157 numMergedOcc 0
26 mol 279 unq 1 iso 0 dist 7.47768 5.54815 9.24895 10.6288 6.37469 8.60764 numMergedOcc 0
27 mol 279 unq 2 iso 0 dist 7.47768 13.9436 8.34154 5.86409 8.76889 12.3885 numMergedOcc 0
28 mol 279 unq 3 iso 0 dist 7.47768 13.9436 8.34154 10.6288 6.37469 6.66489 numMergedOcc 0
29 mol 279 unq 4 iso 0 dist 9.9446 13.9436 9.07176 5.86409 7.04397 12.3885 numMergedOcc 0
30 mol 280 unq 0 iso 0 dist 7.53963 6.49238 4.26671 7.07259 9.047 10.0698 numMergedOcc 0
31 mol 280 unq 1 iso 0 dist 7.53963 6.49238 4.26671 14.7434 9.9227 11.2544 numMergedOcc 0
32 mol 285 unq 0 iso 0 dist 9.20713 7.72208 7.98588 11.3632 8.78148 4.43168 numMergedOcc 0
33 mol 285 unq 1 iso 0 dist 9.20713 7.72208 7.98588 5.56783 8.33415 11.4216 numMergedOcc 0
