0 mol 30 unq 0 iso 0 dist 5.79041 6.40398 10.7491 7.92586 4.22959 12.0238 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.62702 7.05954 6.39495 4.96173 12.8632 8.75014 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 6.97484 7.05954 8.23539 4.96173 3.93337 8.75014 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 6.85365 5.9819 9.06991 6.79584 9.90471 4.25001 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 8.94447 9.05365 16.7805 6.36631 5.09579 13.4717 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 8.94447 9.05365 16.7805 6.24308 5.46299 12.1644 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 8.94447 9.05365 16.7805 6.66182 13.5892 3.86677 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 9.81998 7.03633 9.07138 9.00141 7.93896 13.0042 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 9.81998 7.03633 9.07138 4.26814 6.68141 4.21194 numMergedOcc 0
9 mol 189 unq 0 iso 0 dist 5.79707 9.5853 4.34089 8.49359 6.93464 8.73039 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 8.64561 8.22643 5.15519 9.33055 13.0385 11.5264 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 9.51038 6.06276 11.3192 7.00922 7.51349 5.89873 numMergedOcc 0
12 mol 248 unq 0 iso 0 dist 8.39127 9.97871 6.53154 8.28099 4.40718 4.91893 numMergedOcc 0
13 mol 248 unq 1 iso 0 dist 7.96942 9.08064 6.53154 5.76741 4.40718 4.91893 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 9.50619 8.2776 5.32038 5.33881 7.66564 4.05076 numMergedOcc 0
15 mol 264 unq 0 iso 0 dist 5.50677 9.91954 13.2809 6.26593 5.88986 8.89888 numMergedOcc 0
16 mol 264 unq 1 iso 0 dist 8.75957 9.91954 10.9186 6.26593 3.93329 8.89888 numMergedOcc 0
17 mol 281 unq 0 iso 0 dist 9.26654 6.42743 10.3569 7.8046 14.4804 11.7851 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 7.86196 5.78275 8.73481 7.0445 12.6489 4.65086 numMergedOcc 0
