0 mol 11 unq 0 iso 0 dist 5.59847 10.4181 6.859 13.2938 9.89425 6.76736 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.6834 6.2838 5.80953 4.30555 7.7447 9.63925 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 4.29713 7.50942 6.21128 7.22338 7.31718 6.67385 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 4.29713 7.50942 6.21128 5.36021 5.47447 10.8632 numMergedOcc 0
4 mol 41 unq 2 iso 0 dist 4.29713 12.6976 9.57024 7.22338 7.31718 9.22096 numMergedOcc 0
5 mol 41 unq 3 iso 0 dist 4.29713 12.6976 9.57024 5.36021 5.47447 13.6273 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.09085 13.0367 7.98985 11.023 5.64092 3.99506 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 6.09085 13.0367 7.98985 8.24064 8.71074 16.2325 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 9.73435 11.9655 6.91169 15.4242 8.39955 5.82742 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 5.91019 5.67536 5.7684 4.05022 4.27766 4.1846 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 7.49235 12.8733 9.19977 7.76629 6.67678 5.64998 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 7.49235 12.8733 9.19977 8.52218 7.24956 4.76749 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 7.49235 12.8733 9.19977 3.83191 8.28591 15.6931 numMergedOcc 0
13 mol 93 unq 3 iso 0 dist 7.49235 12.8733 9.19977 3.77555 9.40687 14.8662 numMergedOcc 0
14 mol 93 unq 4 iso 0 dist 7.49235 11.3276 7.28831 7.76629 6.67678 4.34681 numMergedOcc 0
15 mol 93 unq 5 iso 0 dist 7.49235 11.3276 7.28831 8.52218 7.24956 5.73248 numMergedOcc 0
16 mol 93 unq 6 iso 0 dist 7.49235 11.3276 7.28831 3.83191 8.28591 13.5809 numMergedOcc 0
17 mol 93 unq 7 iso 0 dist 7.49235 11.3276 7.28831 3.77555 9.40687 14.149 numMergedOcc 0
18 mol 93 unq 8 iso 0 dist 7.49235 7.81661 9.71411 7.76629 6.67678 9.11796 numMergedOcc 0
19 mol 93 unq 9 iso 0 dist 7.49235 7.81661 9.71411 8.52218 7.24956 7.24672 numMergedOcc 0
20 mol 93 unq 10 iso 0 dist 7.49235 7.81661 9.71411 3.83191 8.28591 10.6039 numMergedOcc 0
21 mol 93 unq 11 iso 0 dist 7.49235 7.81661 9.71411 3.77555 9.40687 6.48338 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 8.7231 5.7124 7.75314 8.67179 8.49847 4.94367 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 9.70796 4.67112 6.05009 7.64279 8.93091 5.68902 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 8.09403 11.5379 7.58375 9.24858 5.23187 4.12242 numMergedOcc 0
25 mol 193 unq 0 iso 0 dist 5.06367 6.94323 8.15661 9.34378 6.94187 5.96435 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 8.63804 8.51744 8.43195 11.3307 8.88902 3.98604 numMergedOcc 0
27 mol 252 unq 0 iso 0 dist 7.95045 10.6643 8.09509 3.58934 7.62991 11.8619 numMergedOcc 0
28 mol 252 unq 1 iso 0 dist 7.95045 10.6643 8.09509 14.1621 9.81261 3.99887 numMergedOcc 0
29 mol 260 unq 0 iso 0 dist 6.19564 8.565 9.31888 9.96926 7.49606 7.28821 numMergedOcc 0
