0 mol 7 unq 0 iso 0 dist 8.94874 8.19144 9.17096 5.77391 7.21217 7.31201 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 6.72533 8.95294 9.13179 9.9807 14.5339 8.52106 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 6.72533 8.95294 9.13179 7.30649 11.5617 6.32451 numMergedOcc 0
3 mol 18 unq 2 iso 0 dist 8.29216 7.19022 9.13179 10.4866 14.5339 8.52106 numMergedOcc 0
4 mol 18 unq 3 iso 0 dist 8.29216 7.19022 9.13179 5.31135 11.5617 6.32451 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.10175 8.41365 10.352 5.65405 5.59773 5.02241 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 9.69751 9.76145 5.42703 6.02166 11.1756 8.33704 numMergedOcc 0
7 mol 70 unq 1 iso 0 dist 9.69751 9.76145 5.42703 10.1412 12.6565 7.92394 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 4.85152 6.58062 5.02124 11.1785 9.514 5.81965 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 4.85152 6.58062 5.02124 10.9352 7.84888 7.06013 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 4.85152 6.58062 5.02124 10.8489 13.0248 9.70512 numMergedOcc 0
11 mol 99 unq 0 iso 0 dist 8.23566 8.86001 5.17028 12.0573 11.5944 7.72108 numMergedOcc 0
12 mol 105 unq 0 iso 0 dist 9.87685 6.13301 7.60038 5.40409 14.4639 8.36733 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 8.26291 6.16039 12.2551 5.26656 11.3273 6.79146 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 8.26291 6.16039 12.2551 10.6181 14.6047 7.66168 numMergedOcc 0
15 mol 130 unq 2 iso 0 dist 8.26291 6.16039 12.2551 9.86628 17.2177 6.89257 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 6.67598 9.40225 10.3893 5.66289 7.30021 6.27641 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 8.98636 9.40225 13.7819 5.66289 12.0043 6.27641 numMergedOcc 0
18 mol 156 unq 2 iso 0 dist 8.79185 9.40225 7.02779 5.66289 10.0734 6.27641 numMergedOcc 0
19 mol 156 unq 3 iso 0 dist 9.41152 4.94012 6.75279 4.68187 12.6493 6.27641 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 9.70186 9.15536 9.36129 10.5343 10.6976 9.31887 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 8.62543 7.88787 9.47543 10.2898 14.9652 9.6668 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 8.03259 9.30874 9.80135 5.114 11.2315 6.94688 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 8.03259 5.54873 4.97806 5.114 11.2315 6.71012 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 5.13722 7.95111 11.1645 7.25468 11.3917 9.52936 numMergedOcc 0
25 mol 184 unq 1 iso 0 dist 5.13722 7.95111 11.1645 8.82012 13.9161 9.15417 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 9.64455 5.77917 7.72105 7.05305 14.746 7.46831 numMergedOcc 0
27 mol 214 unq 1 iso 0 dist 9.64455 5.77917 7.72105 6.33863 11.1684 8.60247 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 4.3362 8.57161 7.84277 9.20027 7.31105 6.99002 numMergedOcc 0
29 mol 220 unq 1 iso 0 dist 5.51565 8.57161 5.83946 9.20027 10.2676 6.99002 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 7.7163 9.97425 5.46434 11.8217 9.34636 7.06793 numMergedOcc 0
31 mol 224 unq 1 iso 0 dist 9.2 9.97425 11.0842 11.8217 12.8171 7.06793 numMergedOcc 0
32 mol 224 unq 2 iso 0 dist 9.06201 8.39753 5.46434 11.9904 9.34636 7.06793 numMergedOcc 0
33 mol 232 unq 0 iso 0 dist 4.46314 8.94854 10.5464 8.14537 11.6886 7.07392 numMergedOcc 0
34 mol 232 unq 1 iso 0 dist 4.46314 8.94854 10.5464 12.1805 16.1027 9.62952 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 6.32593 5.72415 5.1967 6.53984 9.75174 6.91569 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 9.78444 8.5166 13.3407 9.78463 18.214 7.39747 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 8.38727 8.84139 5.36282 10.7477 12.889 8.12892 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 6.6731 9.418 5.84058 15.6082 13.3148 7.50578 numMergedOcc 0
39 mol 259 unq 2 iso 0 dist 6.6731 9.26725 5.36282 13.4341 12.889 8.12892 numMergedOcc 0
40 mol 259 unq 3 iso 0 dist 9.83696 8.10823 5.84058 10.5525 13.3148 7.50578 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 7.24089 9.89613 4.05661 5.56999 6.00877 6.50589 numMergedOcc 0
