0 mol 18 unq 0 iso 0 dist 6.41856 9.7728 6.30737 10.3745 10.4086 7.94376 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.51213 9.7728 15.8027 10.3745 15.3722 7.94376 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.13365 7.63824 9.76111 11.6096 12.2059 5.9372 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.13365 7.63824 9.76111 10.8208 9.01567 6.93597 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 4.75701 6.02596 4.79453 9.64845 11.4614 8.61893 numMergedOcc 0
5 mol 90 unq 1 iso 0 dist 9.89618 8.17454 4.79453 12.0042 11.4614 8.61893 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 8.00525 7.09177 4.73184 5.75219 9.30539 9.97813 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 7.42431 6.33923 6.34994 12.6461 15.6609 9.72371 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 7.00798 8.42277 12.7464 10.1785 17.0088 8.98175 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.67129 7.53591 6.68984 7.84926 14.5189 9.62774 numMergedOcc 0
10 mol 146 unq 0 iso 0 dist 8.53451 8.91908 5.34214 12.5781 11.9182 6.73137 numMergedOcc 0
11 mol 146 unq 1 iso 0 dist 8.53451 8.91908 5.34214 9.68961 10.5681 5.95148 numMergedOcc 0
12 mol 146 unq 2 iso 0 dist 7.24965 8.91908 9.58921 12.5781 15.7114 6.73137 numMergedOcc 0
13 mol 146 unq 3 iso 0 dist 7.24965 8.91908 9.58921 9.68961 12.2161 5.95148 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 9.23551 8.94352 12.7148 15.2735 20.26 9.59327 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 9.03632 6.51748 6.60451 6.99918 10.1759 4.6512 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 9.03632 6.51748 6.60451 6.83901 14.6377 9.45696 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.8508 7.00382 4.63377 5.48326 11.6901 8.2241 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 7.09426 8.78251 4.04122 12.5102 9.19 5.25762 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.04106 6.2669 4.30308 4.45301 5.44002 7.13824 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 7.22234 5.90026 4.71943 6.51731 7.37798 9.34602 numMergedOcc 0
21 mol 213 unq 1 iso 0 dist 5.86501 8.86496 4.71943 4.40169 7.37798 9.34602 numMergedOcc 0
22 mol 213 unq 2 iso 0 dist 8.48081 5.90026 3.62097 6.51731 11.8877 9.34602 numMergedOcc 0
