0 mol 2 unq 0 iso 0 dist 7.87526 4.69809 7.68325 13.6358 11.048 9.8324 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 9.25793 9.63545 9.69413 11.5456 5.22926 7.94379 numMergedOcc 0
2 mol 96 unq 0 iso 0 dist 6.55474 7.07343 8.40684 12.3753 7.7528 8.71026 numMergedOcc 0
3 mol 96 unq 1 iso 0 dist 6.64899 5.98026 8.40684 9.25716 7.7528 8.71026 numMergedOcc 0
4 mol 96 unq 2 iso 0 dist 8.02307 7.13132 8.40684 6.29224 7.7528 8.71026 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 6.95777 11.0439 9.42064 13.7261 11.3296 8.88401 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.91934 4.81432 5.62903 10.3337 4.33372 6.39026 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 8.87869 10.394 9.5205 13.6702 6.57549 8.44933 numMergedOcc 0
8 mol 125 unq 1 iso 0 dist 8.87869 10.4562 7.1608 13.6702 6.57549 7.43803 numMergedOcc 0
9 mol 125 unq 2 iso 0 dist 7.69802 9.99719 9.5205 9.22891 6.57549 8.44933 numMergedOcc 0
10 mol 125 unq 3 iso 0 dist 7.69802 5.34174 7.1608 9.22891 6.57549 7.43803 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.59967 13.8802 6.25968 12.6673 5.50185 8.15734 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.59967 13.8802 6.25968 11.0954 5.58691 6.00896 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.44435 4.91732 9.07154 10.6388 11.5349 9.54774 numMergedOcc 0
14 mol 209 unq 0 iso 0 dist 8.13894 4.79958 8.76212 11.2503 11.0473 6.82209 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 5.00508 7.26324 9.19442 10.9336 11.1021 9.95252 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 5.00508 7.26324 9.19442 6.84692 4.30527 8.92121 numMergedOcc 0
17 mol 239 unq 2 iso 0 dist 8.3717 14.0201 8.55314 19.4507 13.5832 9.82057 numMergedOcc 0
18 mol 241 unq 0 iso 0 dist 6.8951 5.44852 5.42605 10.8395 5.67278 6.54678 numMergedOcc 0
19 mol 241 unq 1 iso 0 dist 5.65753 5.88645 5.42605 8.0779 5.67278 6.54678 numMergedOcc 0
20 mol 241 unq 2 iso 0 dist 7.31224 11.3563 5.42605 11.9343 5.67278 6.54678 numMergedOcc 0
21 mol 267 unq 0 iso 0 dist 8.41273 4.75234 7.21009 12.2576 12.9984 8.21131 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 8.62338 9.62966 4.75392 6.75269 6.76834 8.44356 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 8.62338 9.62966 4.75392 6.75269 6.76834 8.44356 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 8.62338 9.62966 4.75392 6.75269 6.76834 8.44356 numMergedOcc 0
25 mol 294 unq 0 iso 0 dist 9.03579 6.49126 5.25409 9.83069 11.0408 8.46311 numMergedOcc 0
