0 mol 30 unq 0 iso 0 dist 6.71385 12.7282 9.07692 9.08135 5.61656 10.6695 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 6.71385 12.7282 9.07692 9.20502 8.67487 10.6381 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 6.71385 12.7282 9.07692 11.8112 6.95343 6.40527 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.63349 4.72428 7.86924 9.38178 7.13406 7.38915 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.89866 5.21469 5.84829 11.8894 7.48658 10.9449 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.89866 5.21469 5.84829 6.66303 7.20279 5.51133 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 5.70193 4.65265 4.9088 4.37283 8.76445 9.01856 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 7.49127 9.82938 7.53973 8.79472 8.51098 4.93733 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.97551 6.64798 5.80662 4.99077 6.05583 5.26273 numMergedOcc 0
9 mol 222 unq 0 iso 0 dist 7.86674 6.70839 9.92177 4.92125 6.83371 5.73155 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 6.79724 11.9647 8.53124 13.0264 7.21256 6.72592 numMergedOcc 0
11 mol 239 unq 1 iso 0 dist 6.79724 11.9647 8.53124 12.1241 7.71476 12.1268 numMergedOcc 0
12 mol 239 unq 2 iso 0 dist 8.07855 11.4446 7.84904 6.55542 5.45139 5.29737 numMergedOcc 0
13 mol 239 unq 3 iso 0 dist 8.07855 11.4446 7.84904 11.6411 8.10769 15.9383 numMergedOcc 0
14 mol 244 unq 0 iso 0 dist 9.8046 11.1976 7.76796 7.46801 7.27258 6.51077 numMergedOcc 0
15 mol 244 unq 1 iso 0 dist 9.8046 11.1976 7.76796 9.79733 5.29811 11.9809 numMergedOcc 0
16 mol 244 unq 2 iso 0 dist 6.69424 12.235 7.76796 12.6668 7.27258 6.51077 numMergedOcc 0
17 mol 244 unq 3 iso 0 dist 6.69424 12.235 7.76796 9.17618 5.29811 11.9809 numMergedOcc 0
18 mol 248 unq 0 iso 0 dist 7.53088 7.47383 6.43336 6.97887 9.12664 10.9137 numMergedOcc 0
19 mol 248 unq 1 iso 0 dist 7.53088 7.47383 6.43336 5.78576 6.51383 5.35181 numMergedOcc 0
20 mol 256 unq 0 iso 0 dist 8.59294 12.6693 6.5266 17.3726 9.72168 9.07441 numMergedOcc 0
