0 mol 36 unq 0 iso 0 dist 6.9099 8.05598 5.25025 6.16108 6.63518 10.6124 numMergedOcc 0
1 mol 36 unq 1 iso 0 dist 7.23823 7.34019 5.25025 6.73215 6.63518 10.6124 numMergedOcc 0
2 mol 36 unq 2 iso 0 dist 7.23823 8.43828 11.6749 6.73215 6.63518 14.0273 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 9.1695 7.51978 15.6611 3.80217 9.96522 10.3799 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 8.41574 8.93196 4.32473 10.1604 6.9055 10.9243 numMergedOcc 0
5 mol 86 unq 0 iso 0 dist 8.8236 5.49793 7.89966 5.80063 9.67574 8.40609 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.97658 6.9538 5.71534 5.13594 9.20236 11.945 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.97658 9.36111 6.226 5.13594 9.20236 13.3528 numMergedOcc 0
8 mol 99 unq 0 iso 0 dist 5.57391 8.5073 6.7474 5.77364 4.82346 11.1864 numMergedOcc 0
9 mol 99 unq 1 iso 0 dist 5.57391 8.5073 6.7474 10.4509 8.07233 14.8037 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 8.38998 6.59361 8.63598 10.9086 9.00302 15.4014 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.98949 9.64856 9.5945 5.7687 6.45169 10.6529 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 8.98949 6.38977 7.47571 5.7687 6.45169 9.33945 numMergedOcc 0
13 mol 131 unq 2 iso 0 dist 8.98949 9.69757 12.885 5.7687 6.45169 14.2573 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 7.75233 8.1504 4.835 5.784 9.08686 10.3757 numMergedOcc 0
15 mol 199 unq 0 iso 0 dist 6.27016 9.09788 4.83999 7.22468 8.255 12.9346 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 8.66923 9.29203 15.3346 10.2699 7.75366 18.8277 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 8.66923 7.62771 13.1885 10.2699 7.75366 15.2121 numMergedOcc 0
18 mol 238 unq 2 iso 0 dist 8.66923 7.80166 7.04671 10.2699 7.75366 13.6759 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 8.73768 8.98617 4.86885 9.23603 8.90691 11.1773 numMergedOcc 0
20 mol 241 unq 1 iso 0 dist 8.73768 6.74552 5.89144 9.23603 8.90691 11.5782 numMergedOcc 0
