0 mol 5 unq 0 iso 0 dist 9.13041 12.4104 9.81516 20.4008 14.2098 9.17453 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.99657 12.2119 8.64753 13.6199 4.94281 7.84694 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.99657 8.17151 5.96667 13.6199 4.94281 8.33478 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 8.51942 11.6468 8.91775 13.6897 7.06954 6.31029 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 5.62309 10.3156 9.81484 7.7399 8.93569 8.38104 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 7.11127 3.90152 5.77527 8.39069 3.98877 8.38104 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 6.37888 7.42177 5.77527 5.48163 3.98877 8.38104 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 7.11438 10.3156 5.77527 7.7399 3.98877 8.38104 numMergedOcc 0
8 mol 92 unq 4 iso 0 dist 6.91655 3.90152 7.313 8.39069 8.90513 8.38104 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 8.54804 4.85178 8.01723 12.6876 9.75769 9.39575 numMergedOcc 0
10 mol 162 unq 1 iso 0 dist 8.88796 4.66068 8.01723 13.1667 9.75769 9.39575 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 7.91434 6.83252 8.28207 4.22003 11.1464 7.47708 numMergedOcc 0
12 mol 169 unq 1 iso 0 dist 7.79437 6.83252 8.37345 4.22003 11.6489 7.47708 numMergedOcc 0
13 mol 169 unq 2 iso 0 dist 7.79437 4.28585 8.80569 5.79554 13.1539 6.23277 numMergedOcc 0
14 mol 169 unq 3 iso 0 dist 7.79437 4.28585 8.80569 4.22003 11.6489 4.68818 numMergedOcc 0
15 mol 170 unq 0 iso 0 dist 9.53158 12.8113 8.20406 13.317 8.04307 7.31063 numMergedOcc 0
16 mol 170 unq 1 iso 0 dist 9.53158 4.163 7.75807 13.317 8.04307 9.56192 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 9.7402 5.08185 5.80674 10.9003 5.6074 9.28264 numMergedOcc 0
18 mol 244 unq 0 iso 0 dist 5.79898 8.57946 6.61951 13.0697 13.2473 9.13546 numMergedOcc 0
19 mol 244 unq 1 iso 0 dist 5.79898 8.57946 6.61951 12.6476 7.44401 8.16952 numMergedOcc 0
20 mol 244 unq 2 iso 0 dist 5.79898 8.57946 6.61951 4.79207 5.68434 7.58413 numMergedOcc 0
21 mol 270 unq 0 iso 0 dist 8.50042 11.1254 8.93707 16.1018 9.56946 7.37835 numMergedOcc 0
22 mol 270 unq 1 iso 0 dist 8.50042 11.1254 8.93707 8.76202 6.72549 4.62449 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 8.42076 9.6487 5.38333 12.922 5.9468 6.21193 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 8.42076 9.6487 5.38333 11.4524 3.63993 7.75249 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 8.42076 9.6487 5.38333 12.922 5.9468 6.21193 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 8.42076 9.6487 5.38333 11.4524 3.63993 7.75249 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 8.42076 9.6487 5.38333 12.922 5.9468 6.21193 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 8.42076 9.6487 5.38333 11.4524 3.63993 7.75249 numMergedOcc 0
