0 mol 10 unq 0 iso 0 dist 7.51287 9.40965 6.42403 5.50657 6.20404 6.97549 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 7.51287 4.89792 3.69246 5.50657 6.20404 6.47424 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.20647 7.65918 4.10415 6.38282 7.43895 11.4429 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.7961 9.2958 5.37778 7.4373 8.60396 11.4853 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 7.7961 9.2958 5.37778 5.81652 7.48969 10.1273 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 7.73902 9.26518 3.76713 5.33887 7.98624 10.8976 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.00111 8.85675 6.93445 5.07153 4.87856 6.40989 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 7.92498 6.61697 7.1034 6.31058 8.28452 10.9419 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 7.92498 6.61697 7.1034 11.6347 8.44004 13.8659 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 7.4738 7.12662 3.81254 10.7154 8.98367 12.2109 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 7.4738 9.38 6.13996 10.7154 8.98367 14.5996 numMergedOcc 0
11 mol 128 unq 2 iso 0 dist 8.88867 7.12662 7.67031 13.7855 9.35162 16.2573 numMergedOcc 0
12 mol 128 unq 3 iso 0 dist 8.88867 9.38 4.62046 13.7855 9.35162 13.1835 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 6.74947 5.96324 5.51254 6.24568 8.0302 8.34503 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 6.74947 5.96324 5.51254 7.74601 6.65051 9.6733 numMergedOcc 0
15 mol 141 unq 2 iso 0 dist 6.74947 5.96324 5.51254 10.8712 9.41519 13.7236 numMergedOcc 0
16 mol 141 unq 3 iso 0 dist 6.74947 9.22913 14.501 6.24568 8.0302 13.0514 numMergedOcc 0
17 mol 141 unq 4 iso 0 dist 6.74947 9.22913 14.501 7.74601 6.65051 16.2325 numMergedOcc 0
18 mol 141 unq 5 iso 0 dist 6.74947 9.22913 14.501 10.8712 9.41519 19.9278 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 8.11268 6.85177 7.16323 6.33958 8.56204 11.3108 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 8.11268 8.88729 11.9514 6.33958 8.56204 14.8153 numMergedOcc 0
21 mol 176 unq 0 iso 0 dist 7.0591 9.81999 7.30533 5.12864 9.60497 14.4503 numMergedOcc 0
22 mol 176 unq 1 iso 0 dist 7.0591 8.89489 3.47653 5.12864 9.60497 12.358 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 9.31677 7.4717 13.2885 11.3876 6.17825 17.0074 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 9.48967 8.28824 12.0808 12.6185 9.61454 17.7044 numMergedOcc 0
