0 mol 11 unq 0 iso 0 dist 8.38501 5.92328 4.61088 3.80723 6.54358 4.10106 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.86009 14.9943 8.86116 11.3496 8.09311 11.6226 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.86009 14.9943 8.86116 5.39769 9.05357 13.1949 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 7.86009 13.1266 8.38394 11.3496 8.09311 6.17155 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 7.86009 13.1266 8.38394 5.39769 9.05357 10.3122 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 7.84098 10.9752 7.2846 10.2221 9.33906 6.42339 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 7.84098 5.97638 7.58835 10.2221 9.33906 5.1274 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 8.17351 4.21919 7.17396 9.73168 6.56212 7.31539 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 8.17351 8.92028 9.21998 9.73168 6.56212 11.1607 numMergedOcc 0
9 mol 60 unq 0 iso 0 dist 9.60343 5.30537 6.65595 10.386 7.57295 7.80499 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 9.60343 6.62554 9.25011 10.386 7.57295 5.6397 numMergedOcc 0
11 mol 60 unq 2 iso 0 dist 9.60343 10.7956 6.43294 10.386 7.57295 8.62476 numMergedOcc 0
12 mol 60 unq 3 iso 0 dist 9.60343 7.87461 8.52121 10.386 7.57295 6.55502 numMergedOcc 0
13 mol 60 unq 4 iso 0 dist 6.58196 5.88526 6.65595 10.0971 7.57295 7.80499 numMergedOcc 0
14 mol 60 unq 5 iso 0 dist 6.58196 8.583 9.25011 10.0971 7.57295 5.6397 numMergedOcc 0
15 mol 60 unq 6 iso 0 dist 6.58196 7.64117 6.43294 10.0971 7.57295 8.62476 numMergedOcc 0
16 mol 60 unq 7 iso 0 dist 6.58196 7.13836 8.52121 10.0971 7.57295 6.55502 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 7.10826 13.0428 9.38498 13.5663 9.73086 17.4121 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 7.10826 12.5046 9.96396 13.5663 9.73086 5.70116 numMergedOcc 0
19 mol 73 unq 2 iso 0 dist 7.10826 4.51799 9.75218 13.5663 9.73086 14.844 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 4.86758 9.60547 6.45675 7.87099 7.82475 5.43561 numMergedOcc 0
21 mol 100 unq 1 iso 0 dist 4.86758 9.60547 6.45675 4.84558 5.35782 6.30222 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 4.86758 9.59578 7.47343 7.87099 7.82475 5.9143 numMergedOcc 0
23 mol 100 unq 3 iso 0 dist 4.86758 9.59578 7.47343 4.84558 5.35782 5.47563 numMergedOcc 0
24 mol 100 unq 4 iso 0 dist 4.86758 5.92453 8.86688 7.87099 7.82475 5.25234 numMergedOcc 0
25 mol 100 unq 5 iso 0 dist 4.86758 5.92453 8.86688 4.84558 5.35782 5.03232 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 7.58993 9.89982 7.34473 3.6232 6.29161 6.73011 numMergedOcc 0
27 mol 109 unq 1 iso 0 dist 7.58993 9.89982 7.34473 6.35201 7.86666 13.0886 numMergedOcc 0
28 mol 117 unq 0 iso 0 dist 8.08241 8.25965 9.84395 3.64027 6.10127 6.57678 numMergedOcc 0
29 mol 117 unq 1 iso 0 dist 8.08241 13.9096 7.90328 3.64027 6.10127 10.5783 numMergedOcc 0
30 mol 132 unq 0 iso 0 dist 7.41216 7.25384 7.7059 9.73119 6.89918 12.9631 numMergedOcc 0
31 mol 175 unq 0 iso 0 dist 9.91541 9.97933 9.29945 11.597 9.63417 11.0361 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 5.4116 6.18754 9.61492 5.91738 6.49765 10.6504 numMergedOcc 0
33 mol 205 unq 1 iso 0 dist 5.4116 6.20433 7.45763 5.91738 6.49765 8.67921 numMergedOcc 0
