0 mol 48 unq 0 iso 0 dist 6.04551 6.78264 5.90067 8.69374 7.92359 10.4945 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.04551 8.45484 13.4777 8.69374 7.92359 12.1412 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 6.31161 6.78264 9.79694 8.69374 5.59983 10.4945 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 6.31161 8.45484 6.73491 8.69374 5.59983 12.1412 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 6.60356 6.0026 8.57632 7.52622 6.1312 4.71081 numMergedOcc 0
5 mol 105 unq 0 iso 0 dist 8.80388 9.3724 11.2006 8.85561 7.75467 9.52725 numMergedOcc 0
6 mol 105 unq 1 iso 0 dist 7.28156 9.3724 10.9335 8.85561 4.32716 9.52725 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 9.95726 9.99454 14.5771 9.20544 13.1021 4.29029 numMergedOcc 0
8 mol 165 unq 0 iso 0 dist 9.59989 8.4082 5.48376 4.46402 11.4693 8.39473 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 8.88067 9.58853 5.9202 8.86708 8.18231 12.6488 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 7.35148 9.13234 9.3304 8.01243 5.72234 10.2742 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 7.35148 9.13234 9.3304 9.55264 13.2318 12.533 numMergedOcc 0
12 mol 220 unq 2 iso 0 dist 7.57712 5.00266 7.84277 6.57898 5.80442 3.91203 numMergedOcc 0
13 mol 220 unq 3 iso 0 dist 7.20255 5.00266 5.83946 6.57898 6.80972 3.91203 numMergedOcc 0
14 mol 220 unq 4 iso 0 dist 7.57716 9.49722 12.5157 9.1318 5.68462 11.2951 numMergedOcc 0
15 mol 220 unq 5 iso 0 dist 8.98362 9.49722 5.34316 9.1318 10.8062 11.2951 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 8.34832 9.51945 15.8519 7.55125 15.3356 10.0176 numMergedOcc 0
17 mol 284 unq 0 iso 0 dist 9.47963 6.34235 10.5918 8.52276 4.91763 9.74804 numMergedOcc 0
18 mol 284 unq 1 iso 0 dist 9.47963 6.34235 10.5918 7.55623 4.127 10.9454 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 8.60441 8.73893 7.47947 8.19745 10.1933 3.74737 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 6.97558 8.73893 5.08713 8.19745 6.63396 3.74737 numMergedOcc 0
