0 mol 68 unq 0 iso 0 dist 5.97363 9.04129 5.2359 15.7142 12.3411 8.9303 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 5.97363 9.04129 5.2359 16.2974 12.8094 8.14654 numMergedOcc 0
2 mol 68 unq 2 iso 0 dist 5.97363 9.04129 5.2359 8.48252 9.63735 7.16347 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 5.72034 8.52499 3.67112 10.9247 10.3123 8.79595 numMergedOcc 0
4 mol 75 unq 1 iso 0 dist 6.15203 6.2449 3.67112 4.88115 10.3123 8.79595 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 9.13904 8.99674 12.1497 12.9125 19.6946 9.44289 numMergedOcc 0
6 mol 91 unq 1 iso 0 dist 7.10245 8.99674 9.73719 12.9125 17.5982 9.44289 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.74416 6.6157 4.50298 6.5384 9.28514 9.18792 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.64454 7.37771 4.50298 6.26599 9.28514 9.18792 numMergedOcc 0
9 mol 136 unq 0 iso 0 dist 9.12669 9.2211 12.7228 7.65733 11.2558 7.99739 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 9.08844 7.93807 9.40319 13.1927 14.5144 9.32545 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 7.79858 5.92785 9.96392 6.8573 11.9463 9.02161 numMergedOcc 0
12 mol 184 unq 1 iso 0 dist 7.79858 5.92785 9.96392 5.66314 5.50176 8.38137 numMergedOcc 0
13 mol 184 unq 2 iso 0 dist 7.19946 5.92785 5.65874 6.8573 12.1815 9.02161 numMergedOcc 0
14 mol 184 unq 3 iso 0 dist 7.19946 5.92785 5.65874 5.66314 7.89726 8.38137 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 6.08455 7.27051 7.52403 9.56754 12.3449 5.47004 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 6.08455 7.35424 6.91699 9.56754 12.3449 7.36742 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 6.64996 5.21339 5.82576 5.84898 10.9899 9.80811 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 9.97008 9.17894 17.2633 7.50422 14.7235 6.05239 numMergedOcc 0
19 mol 272 unq 1 iso 0 dist 5.98984 9.17894 6.59992 7.50422 9.13425 6.05239 numMergedOcc 0
20 mol 272 unq 2 iso 0 dist 4.90884 9.17894 4.70157 7.50422 6.1302 6.05239 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 6.95272 8.71212 5.93697 5.81275 9.2474 9.51705 numMergedOcc 0
22 mol 286 unq 0 iso 0 dist 6.57496 7.97593 3.82706 5.51771 6.02223 8.86121 numMergedOcc 0
