0 mol 28 unq 0 iso 0 dist 6.62508 5.98169 11.4558 7.09127 10.7536 4.49593 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 8.33273 7.52145 6.37026 13.11 14.2809 9.2795 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 9.16481 8.35776 5.33785 8.41022 10.0211 9.2795 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.14006 5.23167 5.87787 7.90724 8.38687 6.42645 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 9.80945 9.73305 5.85766 5.431 9.83729 9.80366 numMergedOcc 0
5 mol 169 unq 0 iso 0 dist 5.87263 6.18165 3.18152 5.36769 8.79644 8.80004 numMergedOcc 0
6 mol 198 unq 0 iso 0 dist 8.18482 9.55667 3.70259 9.58359 11.6989 9.50184 numMergedOcc 0
7 mol 198 unq 1 iso 0 dist 8.18482 9.55667 3.70259 14.6768 9.42723 6.49746 numMergedOcc 0
8 mol 198 unq 2 iso 0 dist 8.18482 9.55667 3.70259 11.2972 7.70823 9.70373 numMergedOcc 0
9 mol 198 unq 3 iso 0 dist 8.18482 9.55667 3.70259 4.49002 8.16611 9.76877 numMergedOcc 0
10 mol 257 unq 0 iso 0 dist 7.57749 8.71617 9.9335 11.4751 15.4811 6.19418 numMergedOcc 0
11 mol 260 unq 0 iso 0 dist 6.54521 6.02628 9.94995 7.94428 14.3082 8.56451 numMergedOcc 0
12 mol 266 unq 0 iso 0 dist 6.61768 7.36685 3.14784 12.1805 10.0829 9.02396 numMergedOcc 0
13 mol 266 unq 1 iso 0 dist 6.61768 9.03099 5.95721 12.1805 10.0829 7.48115 numMergedOcc 0
14 mol 269 unq 0 iso 0 dist 8.45348 6.8127 6.30793 7.26564 11.1296 6.53779 numMergedOcc 0
15 mol 269 unq 1 iso 0 dist 8.45348 6.8127 6.30793 7.59836 11.9761 6.02501 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 8.20902 7.34927 10.5214 13.0309 18.772 9.00122 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 7.37164 7.96707 7.98095 14.1569 13.1318 6.23874 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 7.37164 7.96707 7.98095 14.1569 13.1318 6.23874 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 7.37164 7.96707 7.98095 14.1569 13.1318 6.23874 numMergedOcc 0
