0 mol 58 unq 0 iso 0 dist 8.68096 6.82279 9.92438 5.40287 3.73561 8.66539 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 8.68096 5.52874 7.66055 5.40287 3.73561 5.38524 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 5.48766 4.94224 6.56664 10.5938 5.68713 9.69044 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 5.48766 11.7123 9.58156 10.5938 5.68713 6.9103 numMergedOcc 0
4 mol 62 unq 2 iso 0 dist 9.63139 4.94224 9.96382 10.5938 3.78856 9.69044 numMergedOcc 0
5 mol 62 unq 3 iso 0 dist 9.63139 11.7123 7.59416 10.5938 3.78856 6.9103 numMergedOcc 0
6 mol 62 unq 4 iso 0 dist 5.80956 11.4221 9.96382 5.6359 3.78856 9.69044 numMergedOcc 0
7 mol 62 unq 5 iso 0 dist 5.80956 4.05764 7.59416 5.6359 3.78856 6.9103 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 7.03608 4.31022 7.2461 9.84682 4.10689 8.49678 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 7.91934 6.7184 6.5258 8.59002 4.03471 4.22363 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 8.44588 4.83846 8.29529 12.1666 7.05148 8.80934 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.59967 5.08964 8.75736 11.1317 14.0091 9.00918 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.59967 5.08964 8.75736 10.7457 15.5753 7.99477 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 5.79433 5.08964 6.76166 11.1317 9.88169 9.00918 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 5.79433 5.08964 6.76166 10.7457 11.8593 7.99477 numMergedOcc 0
15 mol 146 unq 0 iso 0 dist 8.64781 7.05046 7.24965 8.82192 3.75935 9.04757 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 5.54887 6.08428 8.16369 14.2197 14.8867 8.73533 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 8.66291 4.65392 6.73266 11.1862 13.3588 7.9133 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 6.8314 4.94699 4.91961 11.3427 4.84686 7.81215 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 6.8314 12.5331 7.14333 11.3427 4.84686 5.64285 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.91236 9.13047 5.29682 6.93417 5.13757 9.07743 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 8.91236 5.07898 6.20344 10.1791 10.4532 9.63573 numMergedOcc 0
22 mol 259 unq 2 iso 0 dist 8.91236 5.07898 6.20344 6.93417 5.13757 7.66153 numMergedOcc 0
23 mol 267 unq 0 iso 0 dist 8.41273 5.18131 6.54381 10.6588 5.40798 7.34981 numMergedOcc 0
