0 mol 1 unq 0 iso 0 dist 7.81034 6.4181 4.58277 7.90928 9.57393 5.11735 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.19497 6.4181 9.98089 7.90928 12.4382 5.11735 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 5.38703 7.46102 7.36147 8.16743 8.93691 4.85329 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 5.38703 9.47227 7.04632 8.16743 8.93691 10.8135 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 5.38703 9.91301 10.1093 8.16743 8.93691 12.9498 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 7.44869 9.96265 16.087 7.23261 11.4231 5.87283 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 7.44869 9.96265 16.087 6.20069 6.93829 10.6223 numMergedOcc 0
7 mol 44 unq 2 iso 0 dist 9.17447 9.70459 8.36953 8.96501 7.74772 5.87283 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 8.39857 9.46247 8.06806 5.70192 4.50024 10.331 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 9.33989 9.71952 8.73236 8.6411 5.70125 7.18506 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 8.57953 7.28257 8.73236 8.94956 5.70125 7.18506 numMergedOcc 0
11 mol 76 unq 2 iso 0 dist 8.92491 7.47794 7.84269 6.57826 10.7901 4.93067 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 8.12903 9.44916 5.12682 9.4909 9.82939 5.7835 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 8.87089 7.74197 14.8536 5.82918 11.5264 6.95868 numMergedOcc 0
14 mol 88 unq 1 iso 0 dist 8.87089 7.86537 16.4761 5.82918 11.5264 6.97239 numMergedOcc 0
15 mol 88 unq 2 iso 0 dist 8.87089 6.35462 7.86667 5.82918 11.5264 4.37348 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 9.22494 4.44292 5.88096 7.62575 10.225 5.40375 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 6.60418 8.1088 10.2688 9.32452 6.56437 6.95219 numMergedOcc 0
18 mol 173 unq 1 iso 0 dist 6.60418 8.1088 10.2688 9.56248 13.5257 13.5291 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 8.57666 8.58906 5.34813 9.00025 16.553 13.909 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 5.13534 7.41378 4.62576 5.83596 5.20775 8.35755 numMergedOcc 0
21 mol 185 unq 0 iso 0 dist 8.85182 9.878 6.99799 8.60027 6.81717 8.59032 numMergedOcc 0
22 mol 185 unq 1 iso 0 dist 5.7065 9.878 12.6202 8.60027 7.04364 8.59032 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 5.70065 8.62103 5.4508 6.87234 6.86988 11.9386 numMergedOcc 0
24 mol 210 unq 1 iso 0 dist 5.70065 8.62103 5.4508 8.72017 10.1915 15.2792 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 4.87053 7.85877 9.84386 7.35476 8.22466 12.2813 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 9.51001 5.66569 10.5269 6.98151 4.71339 6.04825 numMergedOcc 0
27 mol 244 unq 0 iso 0 dist 9.06357 7.65388 16.3995 9.7208 13.3181 13.8674 numMergedOcc 0
