0 mol 45 unq 0 iso 0 dist 6.1517 9.69419 4.80098 13.0444 11.2849 8.81519 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.06519 7.77714 14.0438 5.41436 12.3975 8.94842 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.06519 7.77714 14.0438 6.53592 11.5817 9.9555 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 7.54027 7.77714 10.6879 5.41436 11.0041 8.94842 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 7.54027 7.77714 10.6879 6.53592 9.35075 9.9555 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 8.12546 8.02004 6.21973 5.30529 7.39468 9.07969 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 8.12546 8.02004 6.21973 6.60498 5.55714 9.61448 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 9.99922 5.65519 5.43707 4.08338 13.2416 8.13162 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.86463 9.5345 5.58111 15.0117 9.47628 5.79157 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.86463 9.5345 5.58111 14.4394 12.083 7.91605 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.86463 9.5345 5.58111 15.3565 11.7824 6.43707 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.85783 5.8785 5.66517 8.15743 13.2907 9.85653 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.85783 5.8785 5.66517 3.93939 8.75195 6.7188 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 8.41494 9.4588 4.98693 5.44287 8.41456 7.7734 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 6.55345 8.3311 7.4314 6.3479 9.62225 7.578 numMergedOcc 0
15 mol 192 unq 1 iso 0 dist 6.55345 7.6168 9.81428 6.3479 9.62225 9.24926 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 9.0526 8.98518 12.1396 6.77896 11.9742 9.21416 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 7.10646 5.1498 6.30987 4.48277 9.94612 9.03056 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 9.91099 9.20848 8.65216 16.8356 15.5893 9.00657 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.27557 5.59164 7.10888 5.6469 14.1279 8.28643 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 6.76938 8.82073 4.96479 5.70397 5.54003 7.89993 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 8.5835 8.53984 12.026 5.95711 12.651 5.81865 numMergedOcc 0
22 mol 257 unq 1 iso 0 dist 7.86554 8.42116 14.3962 3.84196 11.1646 5.81865 numMergedOcc 0
23 mol 257 unq 2 iso 0 dist 7.86554 9.11074 11.0332 3.84196 11.1646 8.25457 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 7.11407 5.78449 5.2842 9.46362 8.39635 9.60873 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 8.72085 7.78656 3.27443 8.83056 11.3875 9.5356 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 8.72085 7.78656 3.27443 8.83056 11.3875 9.5356 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 8.72085 7.78656 3.27443 8.83056 11.3875 9.5356 numMergedOcc 0
