0 mol 16 unq 0 iso 0 dist 9.04834 8.17898 10.2656 5.37568 7.65889 6.42835 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.17898 9.04834 10.2656 5.37568 6.42835 7.65889 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.17898 9.04834 10.2656 9.62324 6.57331 13.1847 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 5.87895 9.57974 4.87334 6.87351 8.87744 10.7404 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.87895 9.57974 4.87334 7.79018 7.27472 9.11445 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 9.10915 7.02352 9.21892 6.24019 9.86334 12.1389 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.87176 7.45675 10.2272 8.41932 7.39665 12.2595 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 7.45675 6.87176 10.2272 11.3486 6.17207 15.2196 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.30194 4.24428 5.7113 10.7557 8.68662 11.6739 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.30194 4.24428 5.7113 11.1632 7.4369 10.9476 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 8.35164 9.43616 4.8896 6.13615 9.02706 8.47988 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 8.35164 9.43616 4.8896 4.49971 9.39168 8.0427 numMergedOcc 0
12 mol 112 unq 2 iso 0 dist 9.43616 8.35164 4.8896 6.13615 8.47988 9.02706 numMergedOcc 0
13 mol 112 unq 3 iso 0 dist 9.43616 8.35164 4.8896 4.49971 8.0427 9.39168 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 7.44784 9.56867 11.5723 6.3642 6.04595 11.8378 numMergedOcc 0
15 mol 127 unq 0 iso 0 dist 8.62711 6.65963 7.30196 9.74982 6.08673 12.1234 numMergedOcc 0
16 mol 132 unq 0 iso 0 dist 6.2403 8.34869 4.35917 11.6543 6.89918 7.89457 numMergedOcc 0
17 mol 132 unq 1 iso 0 dist 8.34869 6.2403 4.35917 11.6543 7.89457 6.89918 numMergedOcc 0
18 mol 132 unq 2 iso 0 dist 6.495 9.43748 4.35917 7.05332 6.89918 7.89457 numMergedOcc 0
19 mol 132 unq 3 iso 0 dist 9.43748 6.495 4.35917 7.05332 7.89457 6.89918 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 5.67862 7.97208 5.00817 7.77359 9.33924 9.55584 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 5.67862 7.97208 5.00817 10.8891 7.93372 11.988 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 7.7292 6.27396 12.5143 5.99091 7.9133 11.6352 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 6.27396 7.7292 12.5143 5.22975 5.94972 12.7968 numMergedOcc 0
24 mol 219 unq 0 iso 0 dist 8.09769 7.24832 7.02195 4.74338 4.33238 7.83604 numMergedOcc 0
25 mol 219 unq 1 iso 0 dist 7.24832 8.09769 7.02195 4.74338 7.83604 4.33238 numMergedOcc 0
26 mol 223 unq 0 iso 0 dist 9.94212 7.34316 12.3422 8.1388 6.42257 9.67663 numMergedOcc 0
27 mol 223 unq 1 iso 0 dist 9.94212 7.34316 12.3422 14.288 9.33543 19.8479 numMergedOcc 0
28 mol 236 unq 0 iso 0 dist 6.36941 9.97357 7.28249 5.3331 9.3206 10.1317 numMergedOcc 0
29 mol 276 unq 0 iso 0 dist 5.30976 8.28881 8.56707 3.87012 8.6759 11.298 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 7.34344 8.08993 13.5089 12.1528 5.83329 18.4692 numMergedOcc 0
