0 mol 28 unq 0 iso 0 dist 9.56722 7.04267 8.79638 7.08646 8.47637 12.1817 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.56722 5.48811 6.42785 7.08646 8.47637 4.80296 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.56722 9.52052 5.75809 7.08646 8.47637 7.20041 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.27814 11.0215 6.2753 7.18472 7.67463 6.76125 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 6.33923 9.73916 8.69371 9.12385 6.34004 9.37246 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 6.98134 6.15779 7.70636 8.18719 7.39112 8.27424 numMergedOcc 0
6 mol 116 unq 1 iso 0 dist 6.98134 9.13854 6.82267 8.18719 7.39112 13.183 numMergedOcc 0
7 mol 116 unq 2 iso 0 dist 8.55413 8.68996 7.70636 13.5312 7.39112 8.27424 numMergedOcc 0
8 mol 116 unq 3 iso 0 dist 8.55413 5.50076 6.82267 13.5312 7.39112 13.183 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 8.06631 5.20968 9.66083 8.83242 9.0745 13.4697 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 8.14978 7.47861 4.93944 15.8234 8.56285 12.9884 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 4.42095 7.59741 7.31316 10.9163 8.93352 16.0694 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 4.42095 12.4055 8.9865 10.9163 8.93352 6.34292 numMergedOcc 0
13 mol 194 unq 2 iso 0 dist 4.63898 11.577 7.31316 6.28634 8.93352 16.0694 numMergedOcc 0
14 mol 194 unq 3 iso 0 dist 4.63898 7.3101 8.9865 6.28634 8.93352 6.34292 numMergedOcc 0
15 mol 194 unq 4 iso 0 dist 9.53641 7.22039 7.31316 17.7577 8.93352 16.0694 numMergedOcc 0
16 mol 194 unq 5 iso 0 dist 9.53641 15.217 8.9865 17.7577 8.93352 6.34292 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 8.52735 12.0772 8.92555 9.26118 9.41157 9.23658 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 5.2116 9.93257 7.38867 7.95139 8.63893 13.2785 numMergedOcc 0
19 mol 254 unq 0 iso 0 dist 7.94753 7.0041 8.87934 7.97424 6.56151 6.89801 numMergedOcc 0
20 mol 254 unq 1 iso 0 dist 7.94753 7.0041 8.87934 4.18858 6.58752 9.83174 numMergedOcc 0
21 mol 254 unq 2 iso 0 dist 7.94753 13.0274 9.47133 7.97424 6.56151 12.4202 numMergedOcc 0
22 mol 254 unq 3 iso 0 dist 7.94753 13.0274 9.47133 4.18858 6.58752 14.4667 numMergedOcc 0
23 mol 254 unq 4 iso 0 dist 9.99046 7.0041 9.66687 7.97424 8.3417 6.89801 numMergedOcc 0
24 mol 254 unq 5 iso 0 dist 9.99046 13.0274 7.61537 7.97424 8.3417 12.4202 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 9.89615 13.0142 8.90108 16.53 8.87546 11.4732 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 5.77565 3.93072 8.90108 10.359 8.87546 11.4732 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 9.82274 10.9203 9.33601 14.2357 9.90494 8.33215 numMergedOcc 0
28 mol 283 unq 1 iso 0 dist 9.82274 10.9203 9.33601 7.50757 5.90121 12.8409 numMergedOcc 0
29 mol 283 unq 2 iso 0 dist 7.17276 5.72409 9.33601 8.40497 9.90494 8.33215 numMergedOcc 0
30 mol 283 unq 3 iso 0 dist 7.17276 5.72409 9.33601 8.03948 5.90121 12.8409 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 9.14217 5.11604 7.29668 7.76761 9.97939 10.577 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 9.14217 5.11604 7.29668 7.76761 9.97939 10.577 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 9.14217 5.11604 7.29668 7.76761 9.97939 10.577 numMergedOcc 0
