0 mol 55 unq 0 iso 0 dist 6.71884 9.95691 10.9362 6.32571 5.80038 5.54723 numMergedOcc 0
1 mol 71 unq 0 iso 0 dist 4.87767 9.95096 5.6601 7.79997 9.07904 10.494 numMergedOcc 0
2 mol 71 unq 1 iso 0 dist 4.87767 9.95096 5.6601 8.5293 5.91313 6.28521 numMergedOcc 0
3 mol 71 unq 2 iso 0 dist 4.87767 9.95096 5.6601 8.54194 5.0189 7.82416 numMergedOcc 0
4 mol 110 unq 0 iso 0 dist 7.67702 7.2461 12.3557 9.58164 5.17209 10.9266 numMergedOcc 0
5 mol 110 unq 1 iso 0 dist 7.67702 9.26333 11.0242 9.58164 5.17209 7.85178 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 7.95205 7.42431 4.48869 9.02541 8.4213 7.59143 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 5.38954 9.60425 6.29427 9.77482 12.4058 11.3679 numMergedOcc 0
8 mol 117 unq 1 iso 0 dist 5.38954 9.60425 6.29427 9.0428 9.30367 15.2823 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.96779 6.76166 9.54131 6.33375 4.72977 5.9915 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.96779 6.76166 9.54131 8.06229 13.1289 5.45435 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 8.96779 7.2977 14.9495 6.33375 4.72977 10.7186 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 8.96779 7.2977 14.9495 8.06229 13.1289 8.47569 numMergedOcc 0
13 mol 134 unq 4 iso 0 dist 9.29989 8.75736 15.7012 6.77398 12.3075 5.45435 numMergedOcc 0
14 mol 134 unq 5 iso 0 dist 9.29989 8.75736 15.7012 5.68207 5.46508 10.302 numMergedOcc 0
15 mol 134 unq 6 iso 0 dist 9.29989 6.32178 10.0029 6.77398 12.3075 8.47569 numMergedOcc 0
16 mol 134 unq 7 iso 0 dist 9.29989 6.32178 10.0029 5.68207 5.46508 5.99395 numMergedOcc 0
17 mol 140 unq 0 iso 0 dist 9.83976 6.40792 12.1389 7.59889 14.3113 4.90549 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.59193 9.37459 13.2016 9.65224 6.02772 9.73393 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 9.59193 9.0847 14.0443 9.65224 6.02772 12.8308 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 9.59193 6.00061 7.99896 9.65224 6.02772 6.56944 numMergedOcc 0
21 mol 152 unq 3 iso 0 dist 9.59193 8.33302 4.89042 9.65224 6.02772 8.08549 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 9.83634 9.03632 18.1743 7.63085 15.059 6.63727 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 7.9678 6.04106 6.4623 9.70674 12.652 6.23291 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 8.14413 7.86668 5.82028 6.94875 9.42795 11.9386 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 9.4525 9.23844 12.7764 5.02756 12.082 5.21956 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 8.98518 9.23844 6.80494 5.02756 5.34316 5.21956 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 9.5831 4.91961 6.16697 6.553 11.2839 5.56749 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 9.5831 4.91961 6.16697 6.5097 11.9454 7.50943 numMergedOcc 0
29 mol 234 unq 2 iso 0 dist 9.5831 7.14333 16.1011 6.553 11.2839 8.0608 numMergedOcc 0
30 mol 234 unq 3 iso 0 dist 9.5831 7.14333 16.1011 6.5097 11.9454 9.38219 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 8.13376 8.69345 14.41 5.68415 11.3446 5.20486 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 5.14122 8.59825 7.8929 5.88787 4.98228 5.51535 numMergedOcc 0
33 mol 265 unq 1 iso 0 dist 5.14122 7.83102 5.56416 5.88787 4.98228 4.65134 numMergedOcc 0
34 mol 271 unq 0 iso 0 dist 8.98817 7.06108 11.7346 7.2452 6.39972 9.94943 numMergedOcc 0
35 mol 278 unq 0 iso 0 dist 7.02416 9.65332 13.8873 7.55154 5.91463 11.2893 numMergedOcc 0
