0 mol 44 unq 0 iso 0 dist 4.97954 8.59022 7.81854 11.3221 9.25641 15.0444 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 8.99557 9.31319 15.919 11.6888 9.14996 16.2666 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 8.99557 9.31319 15.919 5.79552 9.47718 14.405 numMergedOcc 0
3 mol 46 unq 2 iso 0 dist 8.99557 9.31319 15.919 14.6072 8.9459 23.1475 numMergedOcc 0
4 mol 46 unq 3 iso 0 dist 8.99557 8.2513 17.0196 11.6888 9.14996 18.7332 numMergedOcc 0
5 mol 46 unq 4 iso 0 dist 8.99557 8.2513 17.0196 5.79552 9.47718 11.2009 numMergedOcc 0
6 mol 46 unq 5 iso 0 dist 8.99557 8.2513 17.0196 14.6072 8.9459 21.8684 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 6.47588 8.61163 7.21475 5.94178 8.27455 11.1068 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 6.17977 7.67586 5.34079 5.74095 4.67917 6.65344 numMergedOcc 0
9 mol 59 unq 1 iso 0 dist 6.17977 7.67586 5.34079 9.53452 5.81747 10.9882 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 8.63732 6.89185 6.6573 5.93341 8.92399 11.0261 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 8.63732 6.89185 6.6573 4.67605 9.28654 9.10981 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 8.63732 7.97217 4.41538 5.93341 8.92399 9.44916 numMergedOcc 0
13 mol 78 unq 3 iso 0 dist 8.63732 7.97217 4.41538 4.67605 9.28654 10.6287 numMergedOcc 0
14 mol 78 unq 4 iso 0 dist 7.50417 7.80757 4.4651 10.928 9.46472 9.23023 numMergedOcc 0
15 mol 78 unq 5 iso 0 dist 7.50417 5.5849 9.31889 10.928 9.46472 13.6324 numMergedOcc 0
16 mol 78 unq 6 iso 0 dist 8.29369 9.2835 7.17843 8.86457 9.53794 14.6085 numMergedOcc 0
17 mol 78 unq 7 iso 0 dist 8.29369 9.2835 7.17843 7.59211 9.84346 9.23023 numMergedOcc 0
18 mol 78 unq 8 iso 0 dist 6.75455 5.02591 7.17843 10.6415 9.53794 14.6085 numMergedOcc 0
19 mol 78 unq 9 iso 0 dist 6.75455 5.02591 7.17843 5.13304 9.84346 9.23023 numMergedOcc 0
20 mol 78 unq 10 iso 0 dist 6.28063 5.02591 4.4651 5.13304 9.46472 9.23023 numMergedOcc 0
21 mol 81 unq 0 iso 0 dist 9.1024 8.93196 14.5768 4.79903 5.96486 12.7796 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 8.54807 6.05043 5.33325 12.9313 8.36326 12.146 numMergedOcc 0
23 mol 123 unq 0 iso 0 dist 8.64091 8.87148 4.07494 4.81545 6.4879 8.67193 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 6.99667 8.3035 4.55245 7.73947 8.80167 10.961 numMergedOcc 0
25 mol 214 unq 1 iso 0 dist 6.22499 9.01896 4.55245 12.5418 8.80167 10.961 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 5.33054 7.92491 4.44211 9.63141 8.36393 12.6822 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 9.22345 5.69465 8.04474 10.9754 8.35169 7.53641 numMergedOcc 0
