0 mol 24 unq 0 iso 0 dist 8.6586 13.2653 8.23075 14.1706 10.1923 6.6219 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.6586 13.2653 8.23075 16.6394 9.24731 5.68215 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 8.48827 7.17843 7.91148 7.32064 6.99884 6.85523 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 8.48827 7.17843 7.91148 5.85007 4.75637 5.77326 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 8.03895 4.4651 7.91148 4.62314 6.99884 6.85523 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 8.03895 4.4651 7.91148 6.35234 4.75637 5.77326 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 7.14048 7.17843 6.59794 7.32064 3.75261 6.85523 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 7.14048 7.17843 6.59794 5.85007 5.62063 5.77326 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 5.68873 4.4651 6.59794 4.62314 3.75261 6.85523 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 5.68873 4.4651 6.59794 6.35234 5.62063 5.77326 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.86038 5.8457 8.04242 12.7919 11.1225 7.7068 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 8.23055 4.56886 4.17838 10.9102 7.35325 7.13008 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 8.30746 5.1219 4.17838 9.54368 7.35325 7.13008 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 7.08403 14.0364 7.02367 6.12348 3.52445 8.80934 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 6.80798 4.42285 4.42563 9.011 3.17342 6.00603 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 7.84813 5.56946 7.97548 8.09774 9.87781 5.51197 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 7.84813 5.56946 7.97548 11.4776 9.74071 6.69691 numMergedOcc 0
17 mol 129 unq 2 iso 0 dist 7.84813 5.56946 7.97548 14.427 13.8096 8.86944 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 8.00063 12.1014 8.92592 7.30338 3.5168 6.02086 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.17301 8.58814 9.70481 15.3528 18.0236 8.59874 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 9.10344 4.41193 8.22001 10.1839 3.88698 8.97589 numMergedOcc 0
21 mol 184 unq 1 iso 0 dist 9.10344 4.41193 8.22001 8.27396 3.30691 5.96423 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.14525 4.94882 5.90765 12.6102 3.60793 8.73533 numMergedOcc 0
23 mol 188 unq 0 iso 0 dist 8.85223 6.04074 7.86092 7.6482 3.42559 7.88013 numMergedOcc 0
24 mol 188 unq 1 iso 0 dist 8.85223 6.04074 7.86092 9.30803 6.93096 9.90062 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 8.93485 4.2475 9.31158 6.41148 6.49396 6.49765 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 5.66636 6.8901 9.31158 5.06713 6.49396 6.49765 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 7.49754 7.78293 8.82761 15.5348 14.4808 8.21793 numMergedOcc 0
28 mol 213 unq 1 iso 0 dist 7.49754 4.67262 4.66576 12.3532 5.45331 8.22569 numMergedOcc 0
29 mol 270 unq 0 iso 0 dist 7.97614 5.00269 8.65354 6.46935 7.2389 9.31275 numMergedOcc 0
30 mol 270 unq 1 iso 0 dist 7.97614 5.00269 8.65354 5.98384 3.30547 8.56508 numMergedOcc 0
31 mol 285 unq 0 iso 0 dist 5.28731 4.16039 5.03601 5.09181 4.98469 7.80862 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 7.84189 7.19628 5.30118 10.251 3.66473 7.45616 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 7.84189 7.19628 5.30118 10.251 3.66473 7.45616 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 7.84189 7.19628 5.30118 10.251 3.66473 7.45616 numMergedOcc 0
