0 mol 26 unq 0 iso 0 dist 6.88695 6.66387 9.16962 13.741 16.9524 9.10253 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.97635 8.98505 5.02241 8.34361 5.65405 8.41365 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 6.65344 10.4897 6.71911 14.6788 10.6897 7.37607 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 6.95595 8.91765 5.15851 11.3061 9.14798 7.49283 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.58841 10.5948 8.97793 13.2925 6.71804 8.35595 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.58841 13.8628 8.19682 13.2925 6.71804 6.22513 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 4.98864 5.46352 6.99777 9.94634 7.12329 6.87582 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 4.98864 5.46352 6.99777 5.87592 5.19652 8.77794 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 7.95871 10.3995 6.99777 14.3885 7.12329 6.87582 numMergedOcc 0
9 mol 115 unq 3 iso 0 dist 7.95871 10.3995 6.99777 8.37388 5.19652 8.77794 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 5.49877 6.53156 6.89257 11.8403 9.86628 6.16039 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 9.84952 10.9006 7.37327 9.14877 7.07865 9.7281 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 5.96555 12.5517 9.19704 15.753 10.6362 7.70781 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 7.88794 6.58235 4.26212 14.4816 7.02346 9.347 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 7.70279 6.17401 7.07392 8.21479 8.14537 8.94854 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 6.24928 6.66018 6.91569 10.4038 6.53984 5.72415 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 9.32451 4.81145 6.05141 11.094 5.18756 9.83326 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 9.32451 4.81145 6.05141 7.32196 6.13639 6.19514 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 5.89502 11.889 7.19465 11.624 7.07333 6.52138 numMergedOcc 0
19 mol 253 unq 1 iso 0 dist 7.15815 8.75798 7.19465 8.11437 7.07333 6.52138 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 7.82899 7.37187 7.14834 9.27027 6.64096 7.48361 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 6.42725 7.53102 6.77938 9.88758 13.3233 7.88151 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.65265 6.93865 6.50589 9.04647 5.56999 9.89613 numMergedOcc 0
