0 mol 7 unq 0 iso 0 dist 5.77374 9.8603 5.70161 9.33944 8.0166 6.22805 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 9.8603 4.57188 9.33944 9.32945 6.22805 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 9.42142 8.13983 7.00835 5.06934 7.66311 8.91266 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 8.64082 8.609 7.18789 10.8023 13.7992 8.37503 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 6.50216 7.12423 5.27155 10.8401 7.95419 9.06397 numMergedOcc 0
5 mol 51 unq 1 iso 0 dist 9.83073 7.12423 14.6972 10.8401 17.5277 9.06397 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.88786 7.51075 7.1369 12.5342 11.1544 6.87176 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 6.88786 7.51075 7.1369 9.21957 11.7811 5.57389 numMergedOcc 0
8 mol 71 unq 0 iso 0 dist 7.51457 8.85372 6.48988 13.9588 13.1226 8.21553 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 5.58346 6.18305 5.2774 7.53682 5.39171 6.30194 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 9.10386 6.18305 5.44275 7.53682 9.27355 6.30194 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 9.35188 9.21173 7.18373 11.9566 14.6463 7.77558 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 9.81273 4.99966 10.6649 4.36597 13.595 7.55805 numMergedOcc 0
13 mol 103 unq 1 iso 0 dist 6.67575 4.99966 6.35372 4.36597 7.57822 7.55805 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 6.53806 6.7973 6.68061 6.12669 11.1871 7.28355 numMergedOcc 0
15 mol 155 unq 1 iso 0 dist 8.47335 6.7973 5.27475 6.12669 10.1478 7.28355 numMergedOcc 0
16 mol 212 unq 0 iso 0 dist 7.73701 8.062 9.7586 7.5418 9.26387 7.87125 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 8.01164 9.05929 10.6351 6.0905 12.3547 6.73134 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.46728 8.59074 16.5687 12.1988 20.7961 7.98022 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 9.91921 6.2365 6.62361 6.12122 6.74214 7.98022 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 8.20243 6.2365 5.96552 6.12122 5.33462 7.98022 numMergedOcc 0
21 mol 241 unq 0 iso 0 dist 8.15897 9.18476 4.86437 6.70277 9.174 6.40592 numMergedOcc 0
22 mol 256 unq 0 iso 0 dist 9.37687 7.67598 9.07441 6.78978 14.8948 8.43264 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 5.98006 8.06771 5.71237 5.73217 6.76656 6.96379 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 9.8799 6.83408 5.11257 4.93509 7.61232 6.80096 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 9.71653 7.74162 6.03718 6.05412 8.57035 5.17586 numMergedOcc 0
