0 mol 64 unq 0 iso 0 dist 9.3473 9.10915 9.82646 10.6331 6.46589 14.7971 9.73304 16.6744 9.67592 18.8699 numMergedOcc 0
1 mol 64 unq 1 iso 0 dist 8.14932 8.66921 9.82646 8.87081 6.46589 14.7971 10.8918 16.6744 9.67592 18.8699 numMergedOcc 0
2 mol 64 unq 2 iso 0 dist 6.17846 8.66921 5.33496 9.56284 8.13162 11.4345 10.8918 11.6303 9.67592 11.0391 numMergedOcc 0
3 mol 64 unq 3 iso 0 dist 6.08228 5.54343 5.33496 7.91421 8.13162 11.4345 5.59762 11.6303 9.67592 11.0391 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 7.9663 9.05626 9.97628 7.12852 7.06547 10.4778 7.09664 12.0527 8.70949 7.21225 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 6.68364 5.30872 5.4432 5.88056 5.44814 5.37047 6.3915 9.32441 5.99315 4.78563 numMergedOcc 0
6 mol 210 unq 0 iso 0 dist 6.24111 8.07523 5.82028 7.28395 9.11574 10.8156 13.3929 9.67457 6.18308 13.1851 numMergedOcc 0
7 mol 210 unq 1 iso 0 dist 9.00343 7.56882 5.82028 7.49477 9.11574 10.8156 12.3088 9.67457 6.18308 13.1851 numMergedOcc 0
8 mol 223 unq 0 iso 0 dist 7.80764 9.94212 4.67731 8.1388 8.85178 6.42257 11.4946 12.0111 8.77153 4.04036 numMergedOcc 0
9 mol 223 unq 1 iso 0 dist 7.80764 9.94212 4.67731 8.1388 8.85178 6.42257 13.1422 10.6785 8.6166 9.47076 numMergedOcc 0
10 mol 223 unq 2 iso 0 dist 7.80764 9.94212 4.67731 14.288 9.73123 9.33543 11.4946 12.0111 8.77153 13.1538 numMergedOcc 0
11 mol 223 unq 3 iso 0 dist 7.80764 9.94212 4.67731 14.288 9.73123 9.33543 13.1422 10.6785 8.6166 5.39728 numMergedOcc 0
12 mol 223 unq 4 iso 0 dist 5.75896 9.94212 7.19485 8.1388 5.50267 6.42257 11.4946 9.5211 8.77153 4.04036 numMergedOcc 0
13 mol 223 unq 5 iso 0 dist 5.75896 9.94212 7.19485 8.1388 5.50267 6.42257 13.1422 13.3416 8.6166 9.47076 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 7.62593 4.79841 5.41021 11.5075 8.96784 10.7726 11.4653 9.33771 8.95269 5.72475 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 5.92175 7.47238 4.90814 6.2559 9.11418 6.71524 10.134 11.2186 8.27212 5.10213 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 8.34832 9.27989 11.4465 3.28983 6.64008 6.73665 12.1502 15.8376 6.16342 10.6736 numMergedOcc 0
17 mol 248 unq 0 iso 0 dist 8.11968 6.44967 4.53213 9.33595 7.90773 9.05018 9.48478 8.71859 7.69895 4.58289 numMergedOcc 0
18 mol 276 unq 0 iso 0 dist 8.14494 5.30976 9.95911 3.87012 7.11952 8.6759 7.38126 15.3786 9.8993 9.39944 numMergedOcc 0
19 mol 276 unq 1 iso 0 dist 8.14494 5.30976 9.95911 3.87012 7.11952 8.6759 6.39319 13.3495 6.87396 8.26321 numMergedOcc 0
