0 mol 73 unq 0 iso 0 dist 8.0534 9.58688 8.58543 14.9324 7.62738 15.4757 numMergedOcc 0
1 mol 93 unq 0 iso 0 dist 5.89661 6.10639 5.51624 8.64726 7.62611 11.4196 numMergedOcc 0
2 mol 93 unq 1 iso 0 dist 5.89661 12.8537 7.8674 8.64726 7.62611 8.05783 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 9.03491 5.15368 8.71286 5.67542 8.85881 9.18958 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 7.20629 8.9683 8.03035 9.25614 8.8562 6.96805 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 7.20629 8.9683 8.03035 5.53673 7.91683 13.3975 numMergedOcc 0
6 mol 119 unq 2 iso 0 dist 7.20629 5.50673 7.6968 9.25614 8.8562 4.86811 numMergedOcc 0
7 mol 119 unq 3 iso 0 dist 7.20629 5.50673 7.6968 5.53673 7.91683 8.00229 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 7.61392 9.01144 7.76594 5.28204 5.39061 5.66194 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 9.13081 15.064 7.76594 10.6596 5.39061 5.66194 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 9.95533 13.1959 9.23528 14.6343 7.25644 15.9875 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 7.94147 16.9873 9.23528 5.93581 7.25644 15.9875 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 7.27943 8.26715 8.60521 5.8155 5.06613 7.72754 numMergedOcc 0
13 mol 163 unq 0 iso 0 dist 8.67619 6.36862 7.3546 17.985 9.79069 15.9955 numMergedOcc 0
14 mol 163 unq 1 iso 0 dist 8.67619 6.36862 7.3546 8.49413 9.27496 5.87447 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 5.31166 7.56736 7.55358 9.11826 7.46987 13.1254 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 5.31166 9.89307 7.60991 9.11826 7.46987 8.74186 numMergedOcc 0
17 mol 193 unq 0 iso 0 dist 7.46207 11.6364 5.44396 9.7127 7.8141 6.03632 numMergedOcc 0
18 mol 193 unq 1 iso 0 dist 7.46207 11.6364 5.44396 10.7013 8.43187 10.6169 numMergedOcc 0
19 mol 193 unq 2 iso 0 dist 7.46207 8.4769 6.22972 9.7127 7.8141 7.58433 numMergedOcc 0
20 mol 193 unq 3 iso 0 dist 7.46207 8.4769 6.22972 10.7013 8.43187 5.56664 numMergedOcc 0
