0 mol 9 unq 0 iso 0 dist 9.8978 6.67398 9.57198 10.4202 7.35972 13.9252 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.8978 6.67398 9.57198 15.4091 9.93542 18.4167 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.26276 9.03359 9.57198 6.29049 7.35972 13.9252 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.26276 9.03359 9.57198 10.6101 9.93542 18.4167 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 9.52695 6.65725 8.73067 9.36527 7.98326 7.5901 numMergedOcc 0
5 mol 11 unq 1 iso 0 dist 9.52695 6.65725 8.73067 10.1362 7.46578 12.5553 numMergedOcc 0
6 mol 11 unq 2 iso 0 dist 9.78754 6.35394 9.09091 9.66474 7.98326 8.17605 numMergedOcc 0
7 mol 11 unq 3 iso 0 dist 9.78754 6.35394 9.09091 10.3999 7.90478 12.9594 numMergedOcc 0
8 mol 12 unq 0 iso 0 dist 9.25493 10.3414 6.96422 5.97178 5.76024 5.4274 numMergedOcc 0
9 mol 12 unq 1 iso 0 dist 9.25493 10.3414 6.96422 10.229 7.92714 8.06296 numMergedOcc 0
10 mol 12 unq 2 iso 0 dist 9.25493 10.3414 6.96422 7.00379 8.47217 6.65972 numMergedOcc 0
11 mol 26 unq 0 iso 0 dist 8.99751 10.7581 7.22361 9.62452 7.35861 7.52321 numMergedOcc 0
12 mol 26 unq 1 iso 0 dist 8.99751 6.77783 6.15893 9.62452 7.35861 7.26595 numMergedOcc 0
13 mol 26 unq 2 iso 0 dist 9.44507 6.77783 5.497 14.288 6.56527 11.553 numMergedOcc 0
14 mol 26 unq 3 iso 0 dist 9.30674 11.3546 7.22361 7.40218 7.35861 7.52321 numMergedOcc 0
15 mol 26 unq 4 iso 0 dist 9.30674 5.24037 6.15893 7.40218 7.35861 7.26595 numMergedOcc 0
16 mol 26 unq 5 iso 0 dist 8.25567 10.6733 7.22361 3.9882 7.35861 7.52321 numMergedOcc 0
17 mol 26 unq 6 iso 0 dist 8.25567 4.82659 6.15893 3.9882 7.35861 7.26595 numMergedOcc 0
18 mol 26 unq 7 iso 0 dist 9.27369 10.1809 7.3022 12.8556 6.93197 6.78223 numMergedOcc 0
19 mol 54 unq 0 iso 0 dist 4.38047 8.98505 6.30987 10.5895 9.17082 6.85072 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 5.94696 9.47873 6.0129 9.51607 7.36769 10.2677 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 5.94696 9.47873 6.0129 12.5752 6.88901 5.71029 numMergedOcc 0
22 mol 114 unq 0 iso 0 dist 8.27794 8.32999 9.83981 14.0508 8.42878 16.0864 numMergedOcc 0
23 mol 114 unq 1 iso 0 dist 8.27794 5.28095 6.13559 14.0508 8.42878 11.1434 numMergedOcc 0
24 mol 114 unq 2 iso 0 dist 8.27794 11.5542 6.51395 14.0508 8.42878 4.41568 numMergedOcc 0
25 mol 116 unq 0 iso 0 dist 7.6005 8.76048 7.35992 10.5065 8.38606 6.10081 numMergedOcc 0
26 mol 116 unq 1 iso 0 dist 7.6005 5.79458 6.49383 10.5065 8.38606 4.94926 numMergedOcc 0
27 mol 116 unq 2 iso 0 dist 8.7583 11.4263 7.35992 14.2962 8.38606 6.10081 numMergedOcc 0
28 mol 116 unq 3 iso 0 dist 8.7583 9.91115 6.49383 14.2962 8.38606 4.94926 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 8.4733 6.02826 7.26955 5.73999 7.20249 4.48922 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 5.56565 4.49984 7.41399 5.21047 6.84835 6.61001 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 6.95568 6.28043 6.32777 10.453 8.86197 7.23063 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 6.95568 6.28043 6.32777 3.97538 5.94379 5.42554 numMergedOcc 0
33 mol 181 unq 2 iso 0 dist 9.07527 6.24616 5.97685 10.0344 7.22883 11.2039 numMergedOcc 0
34 mol 181 unq 3 iso 0 dist 9.07527 12.5567 8.9289 10.0344 7.22883 15.9559 numMergedOcc 0
35 mol 232 unq 0 iso 0 dist 9.41148 6.17401 7.10413 6.36084 9.78181 10.9886 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 7.26887 11.0995 7.04753 6.5335 5.92374 9.71156 numMergedOcc 0
37 mol 273 unq 0 iso 0 dist 6.38341 9.11005 8.68913 7.55971 7.16346 13.9948 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 6.83113 5.95459 9.20749 5.15747 9.16942 4.60275 numMergedOcc 0
