0 mol 13 unq 0 iso 0 dist 9.11704 7.14622 9.50751 6.99697 12.7006 6.80105 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 8.12105 6.80105 10.6215 6.99697 14.5358 7.14622 numMergedOcc 0
2 mol 75 unq 0 iso 0 dist 8.25597 8.26819 8.88127 11.6648 14.9906 7.14313 numMergedOcc 0
3 mol 75 unq 1 iso 0 dist 4.76466 8.26819 6.78257 11.6648 12.7532 7.14313 numMergedOcc 0
4 mol 75 unq 2 iso 0 dist 8.67172 8.26819 4.7798 11.6648 11.1485 7.14313 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 7.93793 5.45159 8.53498 5.46468 10.0963 4.9835 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 5.40826 8.57285 6.60792 15.1779 12.4651 8.22353 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 9.2254 5.80433 11.9365 5.95728 14.4113 6.49786 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 9.2254 6.8285 13.7178 5.95728 14.4113 8.43154 numMergedOcc 0
9 mol 187 unq 0 iso 0 dist 5.58167 7.9625 10.7843 12.8195 14.98 8.9148 numMergedOcc 0
10 mol 187 unq 1 iso 0 dist 8.0501 7.9625 9.27977 12.8195 17.3296 8.9148 numMergedOcc 0
11 mol 189 unq 0 iso 0 dist 6.77641 4.96433 5.88642 10.6261 10.7595 8.2926 numMergedOcc 0
12 mol 189 unq 1 iso 0 dist 7.54658 4.96433 4.8442 10.6261 12.7394 8.2926 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 6.80214 5.91133 7.67444 13.6133 16.7538 9.49722 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 6.50756 9.49722 7.8513 13.6133 13.4881 5.91133 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 6.23677 8.76325 4.76056 5.92863 7.31608 8.85101 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 7.31608 8.85101 4.76056 5.92863 6.23677 8.76325 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 7.96226 8.85101 4.1117 5.92863 10.0534 8.76325 numMergedOcc 0
18 mol 228 unq 0 iso 0 dist 9.9685 7.95486 13.9493 15.904 20.6888 7.97746 numMergedOcc 0
19 mol 293 unq 0 iso 0 dist 4.72125 5.50284 5.86908 7.34816 10.6176 5.88449 numMergedOcc 0
20 mol 293 unq 1 iso 0 dist 4.72125 5.50284 5.86908 8.64916 11.0368 7.44889 numMergedOcc 0
21 mol 293 unq 2 iso 0 dist 4.72125 8.88355 10.4612 12.0658 16.0123 8.93207 numMergedOcc 0
22 mol 293 unq 3 iso 0 dist 4.72125 8.88355 10.4612 7.34816 10.6176 7.2668 numMergedOcc 0
23 mol 293 unq 4 iso 0 dist 6.52889 7.44889 6.42397 5.85599 9.55759 5.88449 numMergedOcc 0
24 mol 293 unq 5 iso 0 dist 6.52889 7.44889 6.42397 8.64916 9.91172 5.50284 numMergedOcc 0
