0 mol 18 unq 0 iso 0 dist 5.94326 7.23594 5.73846 5.03451 6.16971 10.0997 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.58467 9.15677 7.42841 5.03531 7.02503 6.33493 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 8.71965 7.06199 9.81959 8.98545 13.034 3.53534 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 7.06922 9.31319 6.3156 9.942 11.8315 15.711 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 7.06922 9.31319 6.3156 5.92771 9.41508 7.13979 numMergedOcc 0
5 mol 46 unq 2 iso 0 dist 7.06922 8.2513 5.37608 9.942 11.8315 16.0486 numMergedOcc 0
6 mol 46 unq 3 iso 0 dist 7.06922 8.2513 5.37608 5.92771 9.41508 9.26597 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 6.13194 5.94478 7.24773 7.85115 5.59536 8.02001 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 7.94258 6.7319 13.548 8.72521 11.167 10.9086 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 7.94258 6.7319 13.548 8.19373 10.9987 7.02542 numMergedOcc 0
10 mol 143 unq 2 iso 0 dist 8.20024 8.72463 4.98373 7.99127 8.65995 6.75249 numMergedOcc 0
11 mol 143 unq 3 iso 0 dist 7.19059 8.72463 10.6381 7.99127 5.64264 6.75249 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 6.81055 9.7168 12.052 7.91749 13.2009 6.77599 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 6.81055 7.38138 5.2593 7.91749 13.2009 10.2375 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 6.77966 9.61132 11.9651 7.96309 13.2057 6.74495 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 6.77966 7.34423 5.1918 7.96309 13.2057 10.2651 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 5.16184 6.31492 5.40949 8.43599 7.27394 11.1685 numMergedOcc 0
17 mol 182 unq 1 iso 0 dist 8.54162 7.8621 5.40949 7.01577 7.24077 6.1548 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.11273 8.08787 7.9704 7.93815 10.8619 4.63377 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 9.97669 4.96568 5.11366 9.19805 4.75288 5.94366 numMergedOcc 0
20 mol 265 unq 1 iso 0 dist 9.97669 4.96568 5.11366 7.71301 9.43725 7.71667 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 8.52874 9.54236 8.64742 8.54895 3.92343 12.0416 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 9.83824 9.6958 5.94839 5.00754 11.9773 9.80923 numMergedOcc 0
23 mol 294 unq 1 iso 0 dist 9.83824 9.6958 5.94839 6.70519 15.7216 14.2286 numMergedOcc 0
24 mol 294 unq 2 iso 0 dist 5.49473 9.6958 12.2027 5.00754 4.45227 9.80923 numMergedOcc 0
25 mol 294 unq 3 iso 0 dist 5.49473 9.6958 12.2027 6.70519 4.99494 14.2286 numMergedOcc 0
