0 mol 0 unq 0 iso 0 dist 6.94181 5.47921 7.15528 10.651 7.19817 9.6994 9.83355 9.19662 6.26831 6.34883 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 9.59856 5.32694 7.63133 10.3524 6.70071 6.56335 10.454 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.84569 5.46269 5.46498 10.5516 5.74188 8.71745 10.3524 6.70071 6.56335 4.50891 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 17.2959 10.0952 6.86014 13.7923 5.97304 6.60423 6.00575 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 9.22151 4.96681 7.57578 6.22122 4.33106 7.17969 9.75994 9.36158 6.90155 10.1525 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 6.22122 4.96681 7.17969 9.22151 4.33106 7.57578 9.75994 10.1525 6.90155 9.36158 numMergedOcc 0
6 mol 52 unq 0 iso 0 dist 7.70026 13.9113 7.34143 16.3413 9.162 9.80098 19.9253 12.277 9.66501 4.88603 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 17.1838 10.7229 7.95579 16.145 10.121 7.33422 6.82174 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 13.2962 6.9948 6.19965 16.145 10.121 7.33422 7.91778 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 8.96916 5.92158 6.45675 5.70279 5.33144 7.47343 13.7941 11.8512 9.00544 14.9392 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 8.96916 5.92158 6.45675 5.70279 5.33144 7.47343 12.3707 9.52882 7.12017 12.6602 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 8.96916 5.92158 6.45675 9.71692 9.71151 8.86688 13.7941 11.8512 9.00544 9.01214 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 8.96916 5.92158 6.45675 9.71692 9.71151 8.86688 12.3707 9.52882 7.12017 14.8674 numMergedOcc 0
13 mol 100 unq 4 iso 0 dist 5.70279 5.92158 7.47343 8.96916 5.33144 6.45675 13.7941 14.9392 9.00544 11.8512 numMergedOcc 0
14 mol 100 unq 5 iso 0 dist 5.70279 5.92158 7.47343 8.96916 5.33144 6.45675 12.3707 12.6602 7.12017 9.52882 numMergedOcc 0
15 mol 100 unq 6 iso 0 dist 5.70279 5.92158 7.47343 9.71692 10.1407 8.86688 13.7941 14.9392 9.00544 9.01214 numMergedOcc 0
16 mol 100 unq 7 iso 0 dist 5.70279 5.92158 7.47343 9.71692 10.1407 8.86688 12.3707 12.6602 7.12017 14.8674 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 8.97043 5.19652 6.11741 12.9647 7.69052 7.88312 9.73461 6.08806 5.74857 7.21418 numMergedOcc 0
18 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 10.5719 5.50998 7.73169 13.971 12.6057 9.17106 8.38032 numMergedOcc 0
19 mol 142 unq 1 iso 0 dist 7.15087 8.68855 9.2313 15.3413 11.1395 8.96657 13.971 12.6057 9.17106 8.16815 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 10.3907 8.88798 5.98885 11.4129 13.8722 6.51749 5.93488 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 8.90247 5.114 9.1374 13.7299 12.1628 9.15386 11.4129 13.8722 6.51749 7.64267 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 5.16813 11.0854 8.87694 14.4578 9.50685 9.09754 13.0447 8.90184 6.85302 4.37002 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 5.16813 11.0854 8.87694 14.4578 9.50685 9.09754 17.4935 12.8303 9.98215 4.64235 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 8.7419 5.01062 6.00706 8.5834 6.8425 7.54212 12.6432 6.03524 8.48341 7.60395 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 8.5834 5.01062 7.54212 8.7419 6.8425 6.00706 12.6432 7.60395 8.48341 6.03524 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 15.2062 6.99063 9.34734 13.5057 10.5813 8.03442 10.2525 numMergedOcc 0
27 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 12.0857 5.22356 8.65997 13.5057 10.5813 8.03442 7.22396 numMergedOcc 0
28 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 14.9745 10.8658 7.56888 13.5057 10.5813 8.03442 6.10296 numMergedOcc 0
29 mol 227 unq 3 iso 0 dist 9.60159 7.51316 7.22101 14.7829 12.4689 7.55216 13.5057 10.5813 8.03442 9.69537 numMergedOcc 0
30 mol 227 unq 4 iso 0 dist 7.71761 5.841 7.55216 14.1483 9.51866 9.34734 11.0495 9.69537 8.03442 10.2525 numMergedOcc 0
31 mol 227 unq 5 iso 0 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 11.0495 9.69537 8.03442 10.5813 numMergedOcc 0
32 mol 227 unq 6 iso 0 dist 7.71761 5.841 7.55216 14.1659 12.9332 8.65997 11.0495 9.69537 8.03442 7.22396 numMergedOcc 0
33 mol 227 unq 7 iso 0 dist 7.71761 5.841 7.55216 9.8971 4.48529 7.56888 11.0495 9.69537 8.03442 6.10296 numMergedOcc 0
34 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 5.00457 5.57838 7.03423 11.5087 11.6847 8.92743 9.62106 numMergedOcc 0
35 mol 229 unq 1 iso 0 dist 5.00457 5.65373 7.03423 8.8557 5.57838 8.22528 11.5087 9.62106 8.92743 11.6847 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 4.87108 7.45873 6.22714 7.64276 5.34096 7.31233 11.1268 10.216 5.64181 7.83352 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 7.64276 7.45873 7.31233 4.87108 5.34096 6.22714 11.1268 7.83352 5.64181 10.216 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 6.54455 5.17954 6.22714 10.2875 5.34096 7.31233 10.4767 10.216 5.64181 7.83352 numMergedOcc 0
39 mol 252 unq 0 iso 0 dist 7.93609 7.59919 8.1148 13.7964 8.41807 8.1715 11.6409 9.32326 6.11473 5.72783 numMergedOcc 0
40 mol 252 unq 1 iso 0 dist 7.93609 7.59919 8.1148 13.7964 8.41807 8.1715 6.97105 5.89666 8.47784 10.672 numMergedOcc 0
41 mol 252 unq 2 iso 0 dist 7.93609 7.59919 8.1148 13.7964 8.41807 8.1715 13.8364 11.056 6.53679 5.23748 numMergedOcc 0
42 mol 252 unq 3 iso 0 dist 7.93609 9.76823 8.33025 13.7964 8.41807 9.2288 13.8364 11.056 7.50201 5.23748 numMergedOcc 0
43 mol 252 unq 4 iso 0 dist 7.93609 9.76823 8.33025 16.2688 14.9102 7.19638 13.8364 11.056 7.50201 7.63376 numMergedOcc 0
44 mol 258 unq 0 iso 0 dist 8.21585 5.13233 6.42289 10.7821 7.26417 6.60405 12.9634 5.27959 9.53063 6.6525 numMergedOcc 0
45 mol 272 unq 0 iso 0 dist 7.31993 10.4451 8.46116 12.3168 5.40809 8.33638 4.80092 4.86504 8.46061 8.7909 numMergedOcc 0
