0 mol 10 unq 0 iso 0 dist 8.95503 3.5691 6.50154 7.99404 5.30796 6.68744 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.62693 14.8978 7.84204 13.3092 4.93779 8.00784 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 6.98838 3.48087 6.1847 9.4046 6.64721 9.27633 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.57958 14.5838 7.03417 9.93688 5.02124 7.36335 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 7.25217 5.21212 8.61909 11.1558 6.64548 9.00059 numMergedOcc 0
5 mol 114 unq 1 iso 0 dist 7.25217 5.21212 8.61909 14.4449 17.9949 9.87517 numMergedOcc 0
6 mol 114 unq 2 iso 0 dist 7.25217 5.21212 8.61909 13.0984 14.5862 7.90713 numMergedOcc 0
7 mol 114 unq 3 iso 0 dist 9.78437 5.40104 5.96977 10.7569 13.0805 9.00059 numMergedOcc 0
8 mol 114 unq 4 iso 0 dist 9.78437 5.40104 5.96977 10.5475 6.45112 9.87517 numMergedOcc 0
9 mol 114 unq 5 iso 0 dist 9.78437 5.40104 5.96977 10.067 6.10186 7.90713 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 6.01132 11.7596 7.92317 19.1773 14.8266 9.79115 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 5.41368 3.55808 7.61421 6.13872 4.97806 6.19329 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 7.96182 6.33098 7.61421 10.1001 4.97806 6.19329 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 7.90237 8.9845 7.61421 11.3254 4.97806 6.19329 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 8.32685 12.2163 9.77656 14.7427 10.1284 7.06868 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 6.74777 10.0045 9.77656 10.2079 10.1284 7.06868 numMergedOcc 0
16 mol 197 unq 2 iso 0 dist 9.62514 8.82321 9.77656 7.56537 10.1284 7.06868 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 7.31632 9.74857 9.81165 11.248 6.96766 9.88692 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 7.31632 3.58452 7.8423 11.248 6.96766 9.38368 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 7.31632 3.58452 7.8423 12.1102 9.95664 9.29298 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 7.19662 9.98235 7.35086 12.6588 11.0167 9.8226 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 7.19662 9.98235 7.35086 8.38742 4.69096 9.2653 numMergedOcc 0
22 mol 234 unq 2 iso 0 dist 7.19662 9.98235 7.35086 12.9395 11.0142 8.33309 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 8.46351 9.58753 9.61028 7.97113 11.1732 8.75224 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 8.56029 7.67795 9.94661 11.4683 14.8801 7.45915 numMergedOcc 0
