0 mol 11 unq 0 iso 0 dist 9.64228 9.09133 6.55715 8.85204 4.69897 4.34824 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.90473 7.12852 4.74747 7.65918 9.64848 9.41744 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.27156 4.89196 5.49555 8.32519 5.9487 5.27573 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.96446 9.62702 10.9381 4.96173 11.3522 12.8632 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.96446 6.97484 12.1976 4.96173 11.3522 3.93337 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 6.70686 9.62702 7.17408 4.96173 10.0591 12.8632 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 6.70686 6.97484 10.944 4.96173 10.0591 3.93337 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.07365 6.47401 8.73564 6.54247 4.23405 5.65411 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 8.86938 6.85365 12.8768 6.79584 4.69658 9.90471 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 7.42474 6.85365 6.35364 6.79584 13.1881 9.90471 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 7.2443 8.94447 8.69934 6.36631 6.54263 5.09579 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 7.2443 8.94447 8.69934 6.24308 3.92558 5.46299 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 7.2443 8.94447 8.69934 6.66182 7.07985 13.5892 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 5.06555 9.68343 8.94259 8.0889 5.61274 14.1356 numMergedOcc 0
14 mol 128 unq 0 iso 0 dist 8.3127 9.81998 4.64539 9.00141 10.803 7.93896 numMergedOcc 0
15 mol 128 unq 1 iso 0 dist 8.3127 9.81998 4.64539 4.26814 4.48309 6.68141 numMergedOcc 0
16 mol 172 unq 0 iso 0 dist 7.63635 7.69618 6.11217 9.66616 7.48009 5.76093 numMergedOcc 0
17 mol 172 unq 1 iso 0 dist 9.94649 7.69618 9.12206 9.66616 4.52195 5.76093 numMergedOcc 0
18 mol 189 unq 0 iso 0 dist 8.59972 5.79707 5.59904 8.49359 4.28607 6.93464 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 6.45574 6.43838 10.6981 8.28824 4.75609 9.32678 numMergedOcc 0
20 mol 235 unq 1 iso 0 dist 6.45574 9.24964 9.66021 8.28824 4.75609 14.2299 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 7.40475 7.96942 10.1857 5.76741 6.19721 4.40718 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 9.07206 5.50677 14.073 6.26593 13.3122 5.88986 numMergedOcc 0
23 mol 264 unq 1 iso 0 dist 9.07206 8.75957 16.8934 6.26593 13.3122 3.93329 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 6.95233 9.15288 4.27792 7.96613 14.5358 16.5968 numMergedOcc 0
25 mol 266 unq 1 iso 0 dist 6.95233 6.11795 11.5523 7.96613 14.5358 8.23857 numMergedOcc 0
26 mol 266 unq 2 iso 0 dist 9.61741 9.15288 14.2479 7.96613 13.7682 16.5968 numMergedOcc 0
27 mol 266 unq 3 iso 0 dist 9.61741 6.11795 6.98866 7.96613 13.7682 8.23857 numMergedOcc 0
28 mol 266 unq 4 iso 0 dist 5.61056 9.15288 10.5058 7.96613 11.879 16.5968 numMergedOcc 0
29 mol 266 unq 5 iso 0 dist 5.61056 6.11795 5.19574 7.96613 11.879 8.23857 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 9.38793 9.28545 17.5025 7.05489 9.94225 9.13838 numMergedOcc 0
31 mol 281 unq 0 iso 0 dist 9.27716 9.26654 6.82073 7.8046 12.8596 14.4804 numMergedOcc 0
32 mol 294 unq 0 iso 0 dist 7.77765 7.86196 6.17102 7.0445 14.5847 12.6489 numMergedOcc 0
