0 mol 8 unq 0 iso 0 dist 9.95165 6.88402 8.94096 16.9454 7.12263 14.5611 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.95165 6.88402 8.94096 8.95363 5.00267 6.69972 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 9.95165 9.96761 9.07858 16.9454 7.12263 12.9762 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 9.95165 9.96761 9.07858 8.95363 5.00267 6.3125 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 4.61828 8.91397 8.62284 13.674 9.38831 11.3767 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 6.78356 12.7981 8.98797 7.66366 6.91393 5.73443 numMergedOcc 0
6 mol 56 unq 1 iso 0 dist 6.78356 12.7981 8.98797 5.79574 8.40038 11.075 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 8.99731 7.97477 9.9928 4.64486 8.71286 6.03931 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 6.31314 7.06802 7.53158 11.8677 9.14458 6.2969 numMergedOcc 0
9 mol 154 unq 1 iso 0 dist 6.31314 6.88913 7.43407 11.8677 9.14458 6.70864 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 9.17868 14.2564 9.54367 7.59931 4.9941 14.2138 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 9.17868 14.2564 9.54367 17.1327 8.06913 10.5496 numMergedOcc 0
12 mol 156 unq 2 iso 0 dist 9.17868 12.0471 7.26859 7.59931 4.9941 10.1294 numMergedOcc 0
13 mol 156 unq 3 iso 0 dist 9.17868 12.0471 7.26859 17.1327 8.06913 9.19336 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 6.96572 5.80695 5.92747 12.2679 8.23605 8.26893 numMergedOcc 0
15 mol 163 unq 1 iso 0 dist 9.29539 13.2873 8.21476 4.2381 7.3546 9.79955 numMergedOcc 0
16 mol 163 unq 2 iso 0 dist 9.29539 14.4829 7.66897 4.2381 7.3546 12.6283 numMergedOcc 0
17 mol 163 unq 3 iso 0 dist 9.02124 10.4425 8.21476 11.7732 7.3546 9.79955 numMergedOcc 0
18 mol 163 unq 4 iso 0 dist 9.02124 13.7217 7.66897 11.7732 7.3546 12.6283 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 8.63008 8.91682 9.77862 10.3444 5.52678 12.0339 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 8.63008 8.91682 9.77862 14.1482 9.81666 18.7006 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 8.768 13.2718 5.13453 6.78745 6.53728 8.99405 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.33735 9.78356 9.20589 10.8608 9.56257 8.84427 numMergedOcc 0
23 mol 227 unq 1 iso 0 dist 9.33735 6.0465 7.89801 10.8608 9.56257 5.95112 numMergedOcc 0
24 mol 237 unq 0 iso 0 dist 8.17588 5.18559 9.2604 7.41102 9.11033 7.50329 numMergedOcc 0
25 mol 237 unq 1 iso 0 dist 7.68769 5.18559 7.35569 16.3643 9.84466 16.0031 numMergedOcc 0
26 mol 237 unq 2 iso 0 dist 7.68769 5.18559 7.35569 12.532 6.16557 10.1969 numMergedOcc 0
27 mol 237 unq 3 iso 0 dist 7.68769 5.18559 7.35569 7.41102 5.4813 7.50329 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 5.68818 9.65436 8.27054 13.0591 7.97588 12.9607 numMergedOcc 0
