0 mol 18 unq 0 iso 0 dist 6.79099 9.05986 5.65084 10.715 4.25207 6.39307 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 7.0928 11.7941 7.05196 12.8208 5.8503 5.77745 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 6.89185 6.12049 8.65848 13.2848 13.1649 7.32064 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 6.89185 6.12049 8.65848 9.95361 9.31889 4.62314 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 7.80757 8.07529 6.85523 11.1617 7.17843 7.32064 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 7.80757 8.07529 6.85523 7.50417 4.4651 4.62314 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 7.80757 12.9164 5.77326 11.1617 7.17843 5.85007 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 7.80757 12.9164 5.77326 7.50417 4.4651 6.35234 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 5.5849 8.07529 8.65848 11.1617 13.1649 7.32064 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 5.5849 8.07529 8.65848 7.50417 9.31889 4.62314 numMergedOcc 0
10 mol 78 unq 8 iso 0 dist 9.2835 14.1127 6.85523 8.29369 7.17843 7.32064 numMergedOcc 0
11 mol 78 unq 9 iso 0 dist 9.2835 14.1127 6.85523 9.93708 4.4651 4.62314 numMergedOcc 0
12 mol 78 unq 10 iso 0 dist 9.2835 7.94748 5.77326 8.29369 7.17843 5.85007 numMergedOcc 0
13 mol 78 unq 11 iso 0 dist 9.2835 7.94748 5.77326 9.93708 4.4651 6.35234 numMergedOcc 0
14 mol 78 unq 12 iso 0 dist 5.02591 10.5433 6.85523 6.75455 7.17843 7.32064 numMergedOcc 0
15 mol 78 unq 13 iso 0 dist 5.02591 10.5433 6.85523 6.28063 4.4651 4.62314 numMergedOcc 0
16 mol 78 unq 14 iso 0 dist 5.02591 7.00354 5.77326 6.75455 7.17843 5.85007 numMergedOcc 0
17 mol 78 unq 15 iso 0 dist 5.02591 7.00354 5.77326 6.28063 4.4651 6.35234 numMergedOcc 0
18 mol 78 unq 16 iso 0 dist 8.75605 13.4429 8.65848 15.072 13.1649 7.32064 numMergedOcc 0
19 mol 78 unq 17 iso 0 dist 8.75605 13.4429 8.65848 11.9024 9.31889 4.62314 numMergedOcc 0
20 mol 89 unq 0 iso 0 dist 8.89514 4.11658 6.53308 6.68154 6.46605 7.55644 numMergedOcc 0
21 mol 89 unq 1 iso 0 dist 9.51842 8.74594 6.53308 14.6896 6.46605 7.55644 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 7.63658 8.43423 5.56994 10.8036 4.34071 4.77996 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 6.38977 4.67452 9.27976 8.74464 5.6098 9.10434 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 9.73922 6.35125 7.68266 13.9691 6.64464 8.77904 numMergedOcc 0
25 mol 167 unq 1 iso 0 dist 9.73922 8.80332 6.84752 13.9691 6.64464 6.48993 numMergedOcc 0
26 mol 167 unq 2 iso 0 dist 6.64164 12.0503 9.2289 13.549 7.91498 8.77904 numMergedOcc 0
27 mol 167 unq 3 iso 0 dist 6.64164 10.1276 7.02548 13.549 7.91498 6.48993 numMergedOcc 0
28 mol 168 unq 0 iso 0 dist 6.60477 6.54174 6.02086 13.5186 12.1014 7.30338 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 5.63906 7.80781 7.2793 13.9289 11.7795 6.52441 numMergedOcc 0
30 mol 197 unq 0 iso 0 dist 6.22696 13.0947 9.10817 12.2293 7.56497 6.0033 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 6.32652 6.5797 5.94972 6.99474 4.30341 6.14128 numMergedOcc 0
32 mol 213 unq 0 iso 0 dist 9.06306 4.44853 7.94911 8.96188 7.05959 9.45658 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 7.13194 13.1414 9.72188 18.1418 12.521 7.13727 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 7.13194 13.1414 9.72188 15.8518 9.18011 8.56975 numMergedOcc 0
35 mol 238 unq 2 iso 0 dist 7.80166 6.10342 9.72188 12.7061 12.521 7.13727 numMergedOcc 0
36 mol 238 unq 3 iso 0 dist 7.80166 6.10342 9.72188 12.3224 9.18011 8.56975 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 6.49599 9.41512 9.46361 13.7729 12.1767 7.72489 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 9.47382 11.8307 5.85442 13.7729 5.41945 4.95855 numMergedOcc 0
39 mol 259 unq 2 iso 0 dist 9.47382 9.41512 6.95511 13.7729 5.41945 7.72489 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 5.69465 4.54051 7.20674 9.22345 8.04474 5.72473 numMergedOcc 0
