0 mol 62 unq 0 iso 0 dist 4.85282 4.85685 6.35779 4.93315 5.02909 8.96898 numMergedOcc 0
1 mol 62 unq 1 iso 0 dist 6.49446 5.4275 7.25138 12.2148 11.1544 7.01397 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 5.77675 5.88789 8.4702 7.72671 5.66613 9.10001 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 9.79535 7.19267 9.40699 11.8162 12.0479 8.73208 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 9.79535 7.19267 9.40699 7.45361 9.40927 5.60174 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 5.64099 4.19068 7.80019 10.9816 7.57523 9.98601 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 8.8763 7.6171 5.53454 12.2729 4.50663 9.0807 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 8.8763 7.6171 5.53454 7.4713 10.1927 9.70231 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 7.7195 4.71092 7.06555 10.6399 4.29743 9.73554 numMergedOcc 0
9 mol 171 unq 1 iso 0 dist 7.7195 4.71092 7.06555 11.2714 4.78402 8.65769 numMergedOcc 0
10 mol 171 unq 2 iso 0 dist 8.30819 10.7165 7.06555 11.1433 4.29743 9.73554 numMergedOcc 0
11 mol 171 unq 3 iso 0 dist 8.30819 10.7165 7.06555 13.0914 4.78402 8.65769 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 6.55106 7.69131 8.51811 15.2214 14.7871 9.40138 numMergedOcc 0
13 mol 176 unq 1 iso 0 dist 8.08891 4.53563 8.51811 11.0931 14.7871 9.40138 numMergedOcc 0
14 mol 180 unq 0 iso 0 dist 8.65601 12.6752 6.91244 15.9761 8.4055 9.48707 numMergedOcc 0
15 mol 180 unq 1 iso 0 dist 6.33325 5.92014 6.91244 12.7274 8.4055 9.48707 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 9.67954 7.68974 6.2675 10.8869 3.94874 8.69656 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.39622 5.87342 4.37577 12.4537 7.99002 8.35588 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 5.07395 9.59663 9.49242 8.10747 7.8713 6.58557 numMergedOcc 0
19 mol 210 unq 1 iso 0 dist 9.35577 15.1177 9.49242 14.0158 7.8713 6.58557 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 4.76689 7.91474 9.46576 8.67835 9.87568 4.76164 numMergedOcc 0
21 mol 260 unq 1 iso 0 dist 8.79012 4.38276 9.46576 8.51392 9.87568 4.76164 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 9.477 4.58167 7.93375 11.9565 12.1796 7.74133 numMergedOcc 0
