0 mol 44 unq 0 iso 0 dist 9.52676 9.32021 7.03307 11.2104 9.05795 9.17518 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 9.52676 9.32021 7.03307 14.7353 11.814 8.21833 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 6.72703 5.92019 6.99108 7.60482 6.56778 5.86571 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 8.54821 7.4595 7.31784 8.71991 4.48233 7.54496 numMergedOcc 0
4 mol 120 unq 0 iso 0 dist 8.41086 6.69527 6.03352 8.16773 4.51697 8.43028 numMergedOcc 0
5 mol 120 unq 1 iso 0 dist 7.41599 6.25626 6.03352 11.6347 4.51697 8.43028 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.74658 13.4383 8.50562 14.0878 12.6448 9.39683 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.32254 5.90381 7.82544 6.23023 6.15037 7.59814 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.32254 8.60202 6.18808 14.9832 6.61001 8.07135 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 9.32254 8.60202 6.18808 6.23023 6.15037 9.7775 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 5.6688 6.09526 7.11785 11.1264 9.87435 7.345 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 5.6688 6.09526 7.11785 15.1056 14.6648 9.52987 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 8.04856 9.14827 8.52103 14.9671 12.8718 8.89822 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.38735 5.26093 4.5271 11.7897 4.35079 7.94153 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 8.89293 5.26093 7.02575 11.7897 5.34643 7.94153 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 9.47112 12.8469 5.95375 16.5572 11.8917 9.83885 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 9.47112 15.0925 9.17946 16.5572 11.8917 5.42696 numMergedOcc 0
17 mol 237 unq 0 iso 0 dist 6.78301 12.2119 6.07878 9.5781 4.7134 7.33613 numMergedOcc 0
18 mol 250 unq 0 iso 0 dist 9.5174 9.67078 5.93798 8.4419 4.45194 9.03319 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 5.9131 7.94696 8.13034 10.0041 5.42668 6.98048 numMergedOcc 0
20 mol 272 unq 1 iso 0 dist 8.16917 12.6613 8.13034 5.84116 5.42668 6.98048 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 9.58671 5.37654 7.21972 7.05438 11.3687 9.80746 numMergedOcc 0
22 mol 278 unq 1 iso 0 dist 9.58671 5.37654 7.21972 12.1379 7.83538 9.48589 numMergedOcc 0
23 mol 278 unq 2 iso 0 dist 8.60481 9.21229 7.21972 15.4405 11.3687 9.80746 numMergedOcc 0
24 mol 278 unq 3 iso 0 dist 8.60481 9.21229 7.21972 15.8259 7.83538 9.48589 numMergedOcc 0
