0 mol 55 unq 0 iso 0 dist 8.6545 8.04898 9.95691 5.95334 6.32571 5.54723 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.68096 6.82279 9.92438 11.2024 8.42365 6.35371 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 8.68096 5.52874 7.66055 11.2024 8.42365 8.48255 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 7.56624 14.9361 9.95096 7.69536 7.79997 10.494 numMergedOcc 0
4 mol 71 unq 1 iso 0 dist 7.56624 14.9361 9.95096 10.2387 8.5293 6.28521 numMergedOcc 0
5 mol 71 unq 2 iso 0 dist 7.56624 14.9361 9.95096 12.4002 8.54194 7.82416 numMergedOcc 0
6 mol 71 unq 3 iso 0 dist 8.83594 7.15776 9.95096 14.0254 7.79997 10.494 numMergedOcc 0
7 mol 71 unq 4 iso 0 dist 8.83594 7.15776 9.95096 10.6369 8.5293 6.28521 numMergedOcc 0
8 mol 71 unq 5 iso 0 dist 8.83594 7.15776 9.95096 7.24811 8.54194 7.82416 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 4.5401 9.74415 9.89618 4.91072 6.11881 13.469 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 7.03608 4.31022 7.2461 12.4674 9.58164 10.9266 numMergedOcc 0
11 mol 110 unq 1 iso 0 dist 7.03608 7.33518 9.26333 12.4674 9.58164 7.85178 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 6.98104 13.0727 9.60425 11.6272 9.77482 11.3679 numMergedOcc 0
13 mol 117 unq 1 iso 0 dist 6.98104 13.0727 9.60425 11.7596 9.0428 15.2823 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.59967 5.08964 8.75736 6.60331 6.77398 5.45435 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.59967 5.08964 8.75736 12.2305 5.68207 10.302 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 8.59967 10.9353 6.32178 6.60331 6.77398 8.47569 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 8.59967 10.9353 6.32178 12.2305 5.68207 5.99395 numMergedOcc 0
18 mol 134 unq 4 iso 0 dist 5.79433 5.08964 6.76166 5.76685 6.33375 5.9915 numMergedOcc 0
19 mol 134 unq 5 iso 0 dist 5.79433 5.08964 6.76166 6.60331 8.06229 5.45435 numMergedOcc 0
20 mol 134 unq 6 iso 0 dist 5.79433 10.9353 7.2977 5.76685 6.33375 10.7186 numMergedOcc 0
21 mol 134 unq 7 iso 0 dist 5.79433 10.9353 7.2977 6.60331 8.06229 8.47569 numMergedOcc 0
22 mol 146 unq 0 iso 0 dist 8.64781 7.02519 8.53451 11.995 6.66451 13.71 numMergedOcc 0
23 mol 146 unq 1 iso 0 dist 8.64781 7.05046 7.24965 11.995 6.66451 9.18212 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 9.44435 12.8882 9.37459 7.35247 9.65224 9.73393 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 9.44435 16.0649 9.0847 7.35247 9.65224 12.8308 numMergedOcc 0
26 mol 152 unq 2 iso 0 dist 9.44435 10.6678 6.00061 7.35247 9.65224 6.56944 numMergedOcc 0
27 mol 152 unq 3 iso 0 dist 9.44435 12.9783 8.33302 7.35247 9.65224 8.08549 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 6.8631 13.0116 7.86668 4.61036 6.94875 11.9386 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 6.8314 4.94699 4.91961 6.47584 6.553 5.56749 numMergedOcc 0
30 mol 234 unq 1 iso 0 dist 6.8314 4.94699 4.91961 5.31917 6.5097 7.50943 numMergedOcc 0
31 mol 234 unq 2 iso 0 dist 6.8314 12.5331 7.14333 6.47584 6.553 8.0608 numMergedOcc 0
32 mol 234 unq 3 iso 0 dist 6.8314 12.5331 7.14333 5.31917 6.5097 9.38219 numMergedOcc 0
33 mol 267 unq 0 iso 0 dist 8.41273 5.18131 6.54381 7.37981 6.60591 6.45566 numMergedOcc 0
