0 mol 33 unq 0 iso 0 dist 7.44828 6.53195 11.1555 9.9897 8.74487 14.8932 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.21995 8.81562 3.83842 12.0149 8.84944 11.9051 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 7.11706 9.0681 3.80737 10.665 9.04549 12.7663 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 6.49343 7.85738 12.6017 12.2413 9.78739 20.0078 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.48127 5.91098 8.58474 10.0928 5.73235 9.0369 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.64686 6.65972 4.13187 12.6473 8.61089 11.6139 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 8.64686 4.2253 9.13196 12.6473 8.61089 14.2202 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 5.79195 9.35049 4.63862 12.1681 9.2759 10.3668 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 5.79195 9.35049 4.63862 9.34083 8.76088 13.1234 numMergedOcc 0
9 mol 137 unq 0 iso 0 dist 9.1425 9.63793 5.20208 4.14905 8.77618 11.2901 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 6.20044 8.77524 6.42785 8.63339 6.62514 12.104 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 6.20044 8.77524 6.42785 11.09 9.41996 10.9304 numMergedOcc 0
12 mol 211 unq 0 iso 0 dist 5.6998 5.49212 3.65651 5.59365 8.10779 9.93639 numMergedOcc 0
13 mol 211 unq 1 iso 0 dist 5.6998 9.79135 6.99357 5.59365 8.10779 14.3194 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 5.86911 9.46274 14.085 8.94237 7.82201 16.4626 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.58092 5.94328 5.05766 8.76629 7.53199 10.2898 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 8.58092 5.94328 5.05766 5.64447 7.40014 7.91978 numMergedOcc 0
17 mol 258 unq 2 iso 0 dist 7.40014 7.91978 5.05766 5.62532 7.53199 10.2898 numMergedOcc 0
18 mol 258 unq 3 iso 0 dist 7.40014 7.91978 5.05766 5.64447 8.58092 5.94328 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 6.69245 9.30035 5.32967 6.08002 7.90763 9.51185 numMergedOcc 0
20 mol 272 unq 1 iso 0 dist 7.90763 9.51185 5.32967 6.08002 6.69245 9.30035 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 8.15119 4.1545 9.21484 11.3688 6.66936 10.4606 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 8.15119 4.25172 10.3506 11.3688 6.66936 13.1741 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 9.28067 5.38739 8.09099 7.89565 5.71075 10.1143 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 6.45597 8.73403 3.65914 5.69849 9.18785 10.5085 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 6.45597 8.73403 3.65914 5.69849 9.18785 10.5085 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 6.45597 8.73403 3.65914 5.69849 9.18785 10.5085 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 6.37998 7.94656 3.33848 8.23817 9.77023 12.5467 numMergedOcc 0
