0 mol 16 unq 0 iso 0 dist 8.17898 9.62324 6.57331 12.7747 5.38671 8.63347 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.23292 11.7739 7.52933 12.4912 13.7275 9.10473 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.23292 9.6251 8.23761 12.4912 13.7275 9.20827 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 8.37503 10.5203 6.74179 13.7992 7.18789 5.36413 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 8.37503 10.5203 6.74179 13.3142 5.05661 9.30604 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 7.57586 5.45205 9.19165 5.86243 5.39129 8.62204 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.87176 8.41932 7.39665 11.1544 7.1369 6.37273 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 5.57389 8.95801 7.39665 11.7811 7.1369 6.37273 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 9.25163 3.42334 7.51139 9.64551 8.44462 6.89706 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 7.44784 6.3642 6.04595 12.0912 5.78906 8.32738 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 5.30872 5.88056 5.37047 6.68364 5.4432 5.44814 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 7.5984 14.6282 7.36975 10.8896 4.98373 6.45477 numMergedOcc 0
12 mol 162 unq 0 iso 0 dist 9.42819 8.39434 7.37333 8.954 8.35998 9.95076 numMergedOcc 0
13 mol 162 unq 1 iso 0 dist 9.42819 4.92282 7.45998 8.954 8.35998 7.76112 numMergedOcc 0
14 mol 170 unq 0 iso 0 dist 7.15418 10.4801 9.08274 12.1211 8.83341 8.95292 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 7.45401 5.85073 6.61112 14.1863 10.568 9.82338 numMergedOcc 0
16 mol 219 unq 0 iso 0 dist 9.68515 9.32356 4.33238 12.0262 10.0509 8.38773 numMergedOcc 0
17 mol 219 unq 1 iso 0 dist 8.09769 4.74338 4.33238 4.67452 10.0509 8.38773 numMergedOcc 0
18 mol 219 unq 2 iso 0 dist 6.75833 6.17123 4.33238 14.5528 10.0509 8.38773 numMergedOcc 0
19 mol 219 unq 3 iso 0 dist 7.24832 4.74338 7.83604 4.67452 5.48556 8.38773 numMergedOcc 0
20 mol 223 unq 0 iso 0 dist 9.94212 8.1388 6.42257 7.80764 4.67731 8.85178 numMergedOcc 0
21 mol 223 unq 1 iso 0 dist 9.94212 8.1388 6.42257 11.1639 5.39302 7.8233 numMergedOcc 0
22 mol 223 unq 2 iso 0 dist 9.94212 8.1388 6.42257 5.75896 7.19485 5.50267 numMergedOcc 0
23 mol 223 unq 3 iso 0 dist 9.94212 14.288 9.33543 7.80764 4.67731 9.73123 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 7.47238 6.2559 6.71524 5.92175 4.90814 9.11418 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 9.27989 3.28983 6.73665 10.2234 5.29737 7.69491 numMergedOcc 0
26 mol 239 unq 1 iso 0 dist 9.27989 3.28983 6.73665 8.34832 11.4465 6.64008 numMergedOcc 0
27 mol 248 unq 0 iso 0 dist 6.44967 9.33595 9.05018 8.11968 4.53213 7.90773 numMergedOcc 0
28 mol 276 unq 0 iso 0 dist 5.30976 3.87012 8.6759 8.14494 9.95911 7.11952 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 6.47376 4.91802 6.35028 5.78017 5.34376 8.9352 numMergedOcc 0
30 mol 279 unq 1 iso 0 dist 6.47376 4.91802 6.35028 8.78203 5.86731 5.8845 numMergedOcc 0
31 mol 279 unq 2 iso 0 dist 9.6147 9.35656 6.35028 6.12742 5.34376 8.9352 numMergedOcc 0
32 mol 279 unq 3 iso 0 dist 9.6147 9.35656 6.35028 13.8375 5.86731 5.8845 numMergedOcc 0
