0 mol 59 unq 0 iso 0 dist 7.69638 4.90216 3.68327 6.8954 9.57333 6.10199 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 8.67162 6.35779 4.32751 3.54604 6.34085 5.83263 numMergedOcc 0
2 mol 62 unq 1 iso 0 dist 8.79114 6.35779 4.83294 3.54604 6.48274 5.83263 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 6.88374 9.54314 7.1742 5.02895 9.49232 9.58748 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 6.85867 9.40699 5.46401 9.38171 11.6928 9.06249 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 8.30496 9.48934 8.79381 6.3489 6.12485 7.70581 numMergedOcc 0
6 mol 141 unq 1 iso 0 dist 6.78469 9.48934 5.16197 6.3489 6.0262 7.70581 numMergedOcc 0
7 mol 141 unq 2 iso 0 dist 8.01453 6.41183 5.16197 4.49133 6.0262 7.70581 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 9.41073 8.76449 10.1443 12.2295 18.2684 9.28718 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 9.80819 6.81449 10.5863 3.78181 7.34023 8.88297 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 9.81665 6.87593 10.5688 3.72958 7.35268 8.82984 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 5.60184 6.12278 4.03185 3.55467 6.84471 5.53933 numMergedOcc 0
12 mol 154 unq 1 iso 0 dist 8.86862 6.12278 11.2909 3.55467 11.6618 5.53933 numMergedOcc 0
13 mol 154 unq 2 iso 0 dist 7.08477 6.12278 9.94519 3.55467 8.63557 5.53933 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 7.91434 7.50458 14.0793 9.58834 15.98 9.39809 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 7.91434 5.79554 13.629 9.58834 15.98 8.38775 numMergedOcc 0
16 mol 169 unq 2 iso 0 dist 7.79437 7.50458 14.1141 9.58834 12.5254 9.39809 numMergedOcc 0
17 mol 169 unq 3 iso 0 dist 7.79437 5.79554 13.1539 9.58834 12.5254 8.38775 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 9.26092 9.49242 3.71145 17.502 9.76891 9.41473 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 5.89818 4.90656 3.98604 6.37759 10.8988 8.47836 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 9.32543 4.90656 7.99695 6.37759 5.77928 8.47836 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 5.68717 7.88108 3.60349 10.7811 10.0962 9.68243 numMergedOcc 0
22 mol 268 unq 0 iso 0 dist 8.6745 6.18877 3.75857 4.29831 11.0282 8.00345 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.76945 7.84189 5.39801 14.42 15.369 9.97939 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 7.76945 7.84189 5.39801 14.42 15.369 9.97939 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.76945 7.84189 5.39801 14.42 15.369 9.97939 numMergedOcc 0
