0 mol 91 unq 0 iso 0 dist 7.74952 5.63878 7.12701 10.2137 5.73743 5.96173 numMergedOcc 0
1 mol 91 unq 1 iso 0 dist 8.99674 7.87363 7.12701 6.34706 5.73743 5.96173 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 9.10479 5.49967 7.89317 8.43108 9.23858 8.82375 numMergedOcc 0
3 mol 125 unq 0 iso 0 dist 7.95423 6.02292 8.74577 6.35416 9.08382 11.9415 numMergedOcc 0
4 mol 125 unq 1 iso 0 dist 7.95423 6.02292 8.74577 10.6822 9.3778 15.2717 numMergedOcc 0
5 mol 125 unq 2 iso 0 dist 7.95423 6.02292 8.74577 7.26964 7.47069 9.71964 numMergedOcc 0
6 mol 125 unq 3 iso 0 dist 7.95423 8.42753 9.7728 6.35416 9.08382 13.0245 numMergedOcc 0
7 mol 125 unq 4 iso 0 dist 7.95423 8.42753 9.7728 10.6822 9.3778 15.5695 numMergedOcc 0
8 mol 125 unq 5 iso 0 dist 7.95423 8.42753 9.7728 7.26964 7.47069 13.3502 numMergedOcc 0
9 mol 125 unq 6 iso 0 dist 7.95423 7.65137 6.75122 6.35416 9.08382 5.14447 numMergedOcc 0
10 mol 125 unq 7 iso 0 dist 7.95423 7.65137 6.75122 10.6822 9.3778 6.10523 numMergedOcc 0
11 mol 125 unq 8 iso 0 dist 7.95423 7.65137 6.75122 7.26964 7.47069 5.87414 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 9.96946 5.48937 7.7461 12.8587 9.72053 14.5095 numMergedOcc 0
13 mol 130 unq 1 iso 0 dist 9.96946 5.48937 7.7461 14.7321 7.7949 10.449 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 8.74658 12.0906 8.809 6.82985 9.90168 10.6249 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 6.35397 11.3007 5.66405 5.64577 9.97343 13.0477 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 6.35397 11.3007 5.66405 12.3864 9.70413 6.64386 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 9.62783 7.96328 8.49229 4.76513 6.6554 4.28725 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.01369 7.19462 8.91143 8.18892 7.66165 11.3133 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 6.21588 13.46 7.59757 7.58285 7.32294 10.2677 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 6.78301 11.2019 9.46558 10.8238 7.41478 6.71678 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 9.68308 14.1389 9.58168 5.09262 5.48118 12.8314 numMergedOcc 0
22 mol 249 unq 1 iso 0 dist 9.68308 14.1389 9.58168 4.85486 7.25858 11.6796 numMergedOcc 0
