0 mol 24 unq 0 iso 0 dist 9.40479 9.65174 13.3652 4.21283 13.1457 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.58012 9.65174 6.79749 4.21283 8.56274 8.25818 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.58012 8.56274 4.21283 6.79749 9.65174 8.25818 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 9.72965 5.70238 6.94261 5.51163 14.8363 9.89219 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 5.63315 7.66985 5.51163 6.33375 5.70238 9.89219 numMergedOcc 0
5 mol 28 unq 2 iso 0 dist 5.63315 5.70238 6.33375 5.51163 7.66985 9.89219 numMergedOcc 0
6 mol 28 unq 3 iso 0 dist 9.8465 5.70238 8.99305 5.51163 14.6279 9.89219 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 8.63361 9.31883 14.9872 5.9339 13.8182 9.48125 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 8.63361 6.29842 4.465 4.06864 10.207 6.38866 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.03028 7.87729 13.3357 5.19513 12.8633 8.55237 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.39754 7.87729 13.7136 5.19513 11.5712 8.55237 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 5.51624 6.46217 10.1484 6.15015 10.0605 9.66837 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 7.8674 7.87145 6.15015 10.2139 6.46217 9.66837 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 7.8674 6.46217 10.2139 6.15015 7.87145 9.66837 numMergedOcc 0
14 mol 111 unq 0 iso 0 dist 8.77841 4.72339 6.86082 4.26808 11.3649 4.91212 numMergedOcc 0
15 mol 111 unq 1 iso 0 dist 8.77841 4.72339 6.86082 10.1254 16.4776 9.74162 numMergedOcc 0
16 mol 111 unq 2 iso 0 dist 8.77841 7.21505 10.2571 4.26808 11.3649 9.34782 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 7.76594 4.48699 9.93041 4.9293 9.58379 7.53342 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 8.93453 8.88454 5.50466 11.2139 9.0233 4.88514 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 5.73236 5.66207 7.87644 5.42311 7.22 4.3855 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 5.73236 7.22 5.42311 7.87644 5.66207 4.3855 numMergedOcc 0
21 mol 147 unq 0 iso 0 dist 9.23528 7.19893 9.20965 7.88487 10.1908 5.19116 numMergedOcc 0
22 mol 147 unq 1 iso 0 dist 9.23528 7.19893 9.20965 8.40786 13.6459 8.71702 numMergedOcc 0
23 mol 193 unq 0 iso 0 dist 6.22972 7.06636 5.43768 10.128 11.2075 8.30069 numMergedOcc 0
24 mol 193 unq 1 iso 0 dist 6.22972 7.06636 5.43768 6.936 10.3286 8.83551 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 5.52678 5.13892 7.82899 8.68259 12.7017 5.10542 numMergedOcc 0
26 mol 194 unq 1 iso 0 dist 5.52678 5.78717 10.0237 8.68259 12.7017 4.68722 numMergedOcc 0
27 mol 194 unq 2 iso 0 dist 5.52678 5.78717 10.0237 7.43058 12.8499 5.18325 numMergedOcc 0
28 mol 194 unq 3 iso 0 dist 9.81666 8.2232 7.82899 9.38176 12.7017 5.10542 numMergedOcc 0
29 mol 250 unq 0 iso 0 dist 9.60364 7.5999 10.18 6.28121 8.62514 9.81716 numMergedOcc 0
30 mol 250 unq 1 iso 0 dist 9.60364 8.62514 6.28121 10.18 7.5999 9.81716 numMergedOcc 0
31 mol 260 unq 0 iso 0 dist 8.3149 4.64695 4.05076 5.42399 11.0937 8.62655 numMergedOcc 0
