0 mol 7 unq 0 iso 0 dist 9.45309 15.3646 8.02892 14.6308 6.14469 6.11915 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.0478 10.6593 5.7405 6.85941 9.17082 14.2744 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.3797 11.3174 6.34966 5.42651 6.74766 9.80391 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 8.79499 6.7387 9.1593 7.40519 9.5057 12.6358 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 8.79499 6.7387 9.1593 5.43871 5.75014 7.74959 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 6.73172 12.9793 9.69961 12.4858 7.80873 9.59885 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 7.85045 9.09348 6.63731 7.3393 8.38606 10.0162 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 7.95423 11.8492 9.2657 4.02754 6.33431 12.5885 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.45931 5.49686 7.35385 7.98447 6.75376 7.20376 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 6.49728 13.8322 7.35385 11.3904 6.75376 7.20376 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 6.35397 5.49686 8.35864 7.98447 9.10042 7.20376 numMergedOcc 0
11 mol 141 unq 3 iso 0 dist 6.35397 5.49686 8.35864 8.12085 9.75059 10.1764 numMergedOcc 0
12 mol 141 unq 4 iso 0 dist 6.35397 5.49686 8.35864 10.1812 6.83404 14.3045 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 5.11863 3.95306 5.0207 6.2568 7.54099 8.44389 numMergedOcc 0
14 mol 184 unq 1 iso 0 dist 5.92785 9.14602 5.0207 9.41221 7.54099 8.44389 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 7.35424 8.0557 9.99783 5.76622 9.36796 12.9926 numMergedOcc 0
16 mol 196 unq 0 iso 0 dist 6.67699 10.6599 9.47404 10.9094 7.21349 8.3459 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 9.20651 18.1288 9.61639 5.87654 5.70795 13.4246 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 9.68308 13.3058 4.68783 11.1429 5.9627 4.30062 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 8.95444 9.56036 7.40057 9.21273 6.33496 10.7996 numMergedOcc 0
20 mol 256 unq 1 iso 0 dist 8.95444 9.56036 7.40057 7.94816 6.00636 6.82173 numMergedOcc 0
21 mol 256 unq 2 iso 0 dist 8.95444 9.56036 7.40057 9.60388 7.81448 14.0229 numMergedOcc 0
22 mol 256 unq 3 iso 0 dist 8.95444 9.56036 7.40057 10.878 8.54499 15.2736 numMergedOcc 0
23 mol 256 unq 4 iso 0 dist 7.53508 13.694 7.40057 11.5159 6.33496 10.7996 numMergedOcc 0
24 mol 256 unq 5 iso 0 dist 7.53508 13.694 7.40057 12.9357 6.00636 6.82173 numMergedOcc 0
25 mol 256 unq 6 iso 0 dist 7.53508 13.694 7.40057 4.03381 7.81448 14.0229 numMergedOcc 0
26 mol 256 unq 7 iso 0 dist 7.53508 13.694 7.40057 7.45598 8.54499 15.2736 numMergedOcc 0
