0 mol 61 unq 0 iso 0 dist 7.02173 7.28917 4.18809 4.78291 6.60294 9.06219 numMergedOcc 0
1 mol 61 unq 1 iso 0 dist 7.28917 7.02173 4.18809 15.8202 9.67403 12.924 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.58346 9.10386 5.47475 9.96948 9.66744 10.8292 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 9.78545 5.68726 6.18163 7.44316 9.97998 7.46882 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 5.68726 9.78545 6.18163 3.85496 8.31624 13.2899 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 5.68726 9.78545 6.18163 7.44316 7.46882 9.97998 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 9.97998 7.46882 6.18163 7.44316 9.78545 5.68726 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 7.46882 9.97998 6.18163 10.1335 8.31624 13.2899 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 7.46882 9.97998 6.18163 7.44316 5.68726 9.78545 numMergedOcc 0
9 mol 86 unq 0 iso 0 dist 8.70136 8.52942 6.69682 3.91884 7.53441 10.2856 numMergedOcc 0
10 mol 86 unq 1 iso 0 dist 8.52942 8.70136 6.69682 10.7489 7.91639 11.7784 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 5.74364 8.60026 10.1168 4.13723 6.78043 11.6391 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 8.07962 9.54857 7.56811 5.31804 7.58908 9.32058 numMergedOcc 0
13 mol 102 unq 1 iso 0 dist 9.54857 8.07962 7.56811 5.31804 9.32058 7.58908 numMergedOcc 0
14 mol 102 unq 2 iso 0 dist 7.58908 9.32058 7.56811 5.31804 8.07962 9.54857 numMergedOcc 0
15 mol 102 unq 3 iso 0 dist 9.32058 7.58908 7.56811 5.31804 9.54857 8.07962 numMergedOcc 0
16 mol 103 unq 0 iso 0 dist 8.9889 9.99089 5.72399 10.3429 6.67575 12.1431 numMergedOcc 0
17 mol 103 unq 1 iso 0 dist 6.67575 9.81273 10.0023 10.3429 8.9889 11.4817 numMergedOcc 0
18 mol 108 unq 0 iso 0 dist 5.52402 7.57593 6.45014 7.80411 6.79804 11.4269 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 5.83335 9.92635 14.4206 3.75614 7.86724 7.85507 numMergedOcc 0
20 mol 183 unq 1 iso 0 dist 7.86724 9.86506 8.9952 3.75614 5.83335 11.3395 numMergedOcc 0
21 mol 183 unq 2 iso 0 dist 7.86724 7.85507 14.4206 3.75614 5.83335 9.92635 numMergedOcc 0
22 mol 183 unq 3 iso 0 dist 9.92635 5.83335 14.4206 3.75614 7.85507 7.86724 numMergedOcc 0
23 mol 183 unq 4 iso 0 dist 7.85507 9.86506 15.9375 3.75614 9.92635 11.3395 numMergedOcc 0
24 mol 183 unq 5 iso 0 dist 7.85507 7.86724 14.4206 3.75614 9.92635 5.83335 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 5.79753 8.47576 5.42954 10.6986 7.56537 12.5846 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 7.56537 9.89975 7.28269 10.6986 5.79753 12.1601 numMergedOcc 0
27 mol 245 unq 0 iso 0 dist 6.58637 5.48167 6.22658 4.13941 8.91609 9.44131 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 7.97113 5.22111 4.70261 5.25523 8.38479 8.53598 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 5.22111 7.97113 4.70261 5.25523 8.53598 8.38479 numMergedOcc 0
30 mol 259 unq 2 iso 0 dist 8.38479 8.53598 4.70261 5.25523 7.97113 5.22111 numMergedOcc 0
31 mol 259 unq 3 iso 0 dist 8.53598 8.38479 4.70261 5.25523 5.22111 7.97113 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 3.90274 7.49024 9.45269 6.47501 9.33447 10.4329 numMergedOcc 0
33 mol 280 unq 0 iso 0 dist 7.10723 8.01368 9.14734 9.41086 6.8664 15.1358 numMergedOcc 0
