0 mol 55 unq 0 iso 0 dist 8.6545 10.2112 5.12277 10.4527 9.00169 5.85221 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 8.6545 10.2112 5.12277 10.2715 7.66306 8.11218 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 9.63139 4.38006 8.51622 11.5229 7.64945 7.72978 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 5.80956 11.5171 8.51622 7.29132 7.64945 7.72978 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.24764 5.40682 7.52742 12.1186 8.64047 14.8764 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 9.24651 6.74414 7.38568 5.45611 7.63894 8.09188 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 4.5401 6.74414 8.6767 5.45611 6.17315 8.09188 numMergedOcc 0
7 mol 90 unq 2 iso 0 dist 4.5401 6.64552 9.93577 5.45611 6.17315 11.4628 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 8.99783 10.931 9.61273 9.40904 7.03509 5.73872 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 7.30776 5.61813 9.61273 4.42156 7.03509 5.73872 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 8.82602 9.7277 9.61273 6.42922 7.03509 5.73872 numMergedOcc 0
11 mol 120 unq 3 iso 0 dist 9.91516 9.91513 9.61273 5.12233 7.03509 5.73872 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 5.58048 8.49636 7.37431 10.0268 6.78113 6.38456 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 5.54887 8.2442 5.52744 10.1172 8.78339 5.98491 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.7451 4.90492 8.39627 12.8393 9.08573 8.22473 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 5.00508 8.24241 9.64578 4.97239 5.6619 6.92708 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 5.00508 5.3748 7.02833 4.97239 5.6619 5.1292 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 8.62338 5.22713 5.06731 14.158 6.69569 9.46764 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 8.62338 5.22713 5.06731 14.158 6.69569 9.46764 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 8.62338 5.22713 5.06731 14.158 6.69569 9.46764 numMergedOcc 0
