0 mol 8 unq 0 iso 0 dist 5.68648 9.35502 7.03958 16.336 12.4076 8.53529 19.366 17.5554 11.4716 8.33604 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.82187 7.49229 5.89412 12.0227 11.0528 7.07399 13.7983 10.6943 6.33828 8.21493 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.41045 10.4834 8.40416 13.3505 7.67038 7.75618 16.5778 13.4721 6.2337 8.78293 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.41045 10.4834 8.40416 13.3505 7.67038 7.75618 19.8589 14.6255 14.4867 8.23643 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.41045 10.4834 8.40416 13.3505 7.67038 7.75618 10.26 6.20943 11.4087 7.82528 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 7.689 12.5859 7.01812 11.1764 5.88134 8.30845 4.71183 6.58204 10.0891 7.75343 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 9.22737 10.6748 8.30845 12.7823 5.88134 7.01812 10.2716 7.75343 10.0891 6.58204 numMergedOcc 0
7 mol 101 unq 0 iso 0 dist 8.65215 4.93063 6.98314 9.65097 6.69637 7.61685 4.09052 10.6222 7.83985 9.57816 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 8.57712 10.7516 6.53347 15.3124 7.01918 8.69157 18.1205 12.0728 7.6506 9.87281 numMergedOcc 0
9 mol 155 unq 1 iso 0 dist 8.57712 10.7516 6.53347 15.3124 7.01918 8.69157 11.3672 7.70572 4.40321 8.65888 numMergedOcc 0
10 mol 155 unq 2 iso 0 dist 8.57712 10.7516 6.53347 15.3124 7.01918 8.69157 16.1194 10.6403 6.00473 8.27111 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 7.7544 7.18433 9.39829 11.1074 8.85576 6.41453 12.3863 11.4148 6.05477 6.93764 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 8.6771 6.12869 7.57812 13.7175 10.0191 9.24557 10.8712 12.5477 10.3809 9.29858 numMergedOcc 0
13 mol 274 unq 0 iso 0 dist 8.41236 11.7852 7.46394 17.5092 10.501 9.45514 22.414 14.4703 12.625 9.19234 numMergedOcc 0
14 mol 278 unq 0 iso 0 dist 6.84604 10.7698 6.62841 11.8771 8.29447 8.00673 16.1434 12.1774 7.83538 6.35287 numMergedOcc 0
