0 mol 7 unq 0 iso 0 dist 7.5298 9.02286 4.45508 13.8023 8.94874 12.71 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.58709 8.74005 5.3991 7.90905 7.53564 11.8355 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 4.87423 8.72533 10.1334 6.17026 6.71332 14.3766 numMergedOcc 0
3 mol 71 unq 1 iso 0 dist 4.87423 8.72533 10.1334 3.843 4.76283 9.14345 numMergedOcc 0
4 mol 71 unq 2 iso 0 dist 4.76283 9.14345 10.1334 5.76061 6.71332 14.3766 numMergedOcc 0
5 mol 71 unq 3 iso 0 dist 4.76283 9.14345 10.1334 3.843 4.87423 8.72533 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 6.2491 6.04768 7.43547 5.4823 3.59451 9.40173 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 3.59451 9.40173 7.43547 5.4823 6.2491 6.04768 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.37708 7.03339 4.6963 15.3111 9.17909 13.3036 numMergedOcc 0
9 mol 125 unq 0 iso 0 dist 8.15971 8.2793 10.5488 10.4314 8.32045 16.9157 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 8.26291 6.87196 7.91054 13.7304 7.86001 12.3159 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 4.95086 9.69865 7.84711 9.54023 8.39524 14.9777 numMergedOcc 0
12 mol 193 unq 0 iso 0 dist 5.19654 6.28889 7.03947 13.1729 9.16852 16.1177 numMergedOcc 0
13 mol 193 unq 1 iso 0 dist 5.19654 6.28889 7.03947 8.96814 8.6538 14.5082 numMergedOcc 0
14 mol 211 unq 0 iso 0 dist 5.42004 8.76958 8.01376 5.16245 9.63472 13.823 numMergedOcc 0
15 mol 211 unq 1 iso 0 dist 5.42004 8.76958 8.01376 9.68345 9.63103 13.9385 numMergedOcc 0
16 mol 211 unq 2 iso 0 dist 7.73993 8.76958 13.9486 5.16245 7.15386 13.823 numMergedOcc 0
17 mol 211 unq 3 iso 0 dist 7.73993 8.76958 13.9486 8.05917 9.45365 16.5783 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 5.51565 9.75868 5.72178 6.08531 9.74776 10.9396 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 9.59565 9.69753 4.33786 7.84836 9.96759 6.74625 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 9.96759 6.74625 4.33786 7.84836 9.59565 9.69753 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 9.42193 9.1191 5.53685 7.56661 8.04265 11.7647 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 8.3298 8.80499 10.911 10.3809 9.05149 15.5614 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 9.2447 9.52471 13.8071 7.90361 9.96645 16.3314 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.18179 7.61501 14.2071 7.00034 8.87355 11.9352 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 8.18179 7.61501 14.2071 5.38839 9.51355 12.2804 numMergedOcc 0
26 mol 279 unq 2 iso 0 dist 5.25218 7.61501 5.65772 5.38839 8.31465 12.2804 numMergedOcc 0
27 mol 279 unq 3 iso 0 dist 5.25218 7.61501 5.65772 11.2306 7.88102 13.177 numMergedOcc 0
28 mol 279 unq 4 iso 0 dist 8.76889 8.6522 12.7014 6.55493 7.04397 7.31529 numMergedOcc 0
29 mol 279 unq 5 iso 0 dist 7.04397 7.31529 12.7014 6.55493 8.76889 8.6522 numMergedOcc 0
