0 mol 59 unq 0 iso 0 dist 5.68841 7.7978 7.18948 8.68726 6.13182 6.7583 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 7.68053 7.75811 6.1985 9.16721 5.30537 9.85676 numMergedOcc 0
2 mol 110 unq 0 iso 0 dist 9.71431 8.181 7.3992 9.29817 7.01157 8.79503 numMergedOcc 0
3 mol 155 unq 0 iso 0 dist 7.49276 4.44292 4.97552 7.62575 9.67559 5.40375 numMergedOcc 0
4 mol 173 unq 0 iso 0 dist 9.9855 8.1088 8.01577 9.32452 10.4945 6.95219 numMergedOcc 0
5 mol 173 unq 1 iso 0 dist 9.9855 8.1088 8.01577 9.56248 9.82963 13.5291 numMergedOcc 0
6 mol 175 unq 0 iso 0 dist 9.51041 8.58906 12.5716 9.00025 3.81023 13.909 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 9.14877 9.84952 7.07865 6.17129 6.09218 6.7991 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 8.18021 9.84952 13.9526 6.17129 8.78318 6.7991 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 8.52322 8.96988 6.94867 9.08641 12.6891 6.97485 numMergedOcc 0
10 mol 232 unq 0 iso 0 dist 8.21479 7.70279 8.14537 9.61294 15.546 8.78722 numMergedOcc 0
11 mol 232 unq 1 iso 0 dist 8.21479 9.29752 6.1648 9.61294 15.546 13.5597 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 9.18345 6.24928 5.33697 8.81534 5.58989 6.20606 numMergedOcc 0
13 mol 244 unq 0 iso 0 dist 8.19381 7.65388 8.82711 9.7208 17.6725 13.8674 numMergedOcc 0
14 mol 244 unq 1 iso 0 dist 8.93421 7.65388 16.3489 9.7208 8.83858 13.8674 numMergedOcc 0
15 mol 244 unq 2 iso 0 dist 7.35657 7.65388 14.6599 9.7208 12.4158 13.8674 numMergedOcc 0
16 mol 244 unq 3 iso 0 dist 6.19605 7.65388 11.9885 9.7208 7.7971 13.8674 numMergedOcc 0
