0 mol 11 unq 0 iso 0 dist 7.91082 8.92262 6.56599 9.72015 7.27588 5.25331 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 5.52834 6.79455 6.51963 7.53194 4.62559 9.28732 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.90896 13.1044 6.96647 10.3601 4.40015 7.78587 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 8.61089 9.41403 8.17967 11.6139 4.13187 9.11491 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 8.64686 13.7118 8.17967 6.65972 4.13187 9.11491 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.54778 10.9953 9.36502 16.2153 10.9333 8.61909 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 8.57909 5.47189 9.36502 12.2709 10.9333 8.61909 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 6.61973 12.8624 8.31955 11.3496 5.94177 6.28029 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 9.52061 9.66773 9.50776 11.0632 4.39633 8.86956 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 7.91838 8.54569 7.82212 10.3004 3.87593 6.24036 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 6.62514 10.239 6.35305 12.104 6.42785 4.51124 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 6.62514 10.239 6.35305 16.3862 10.9716 8.41517 numMergedOcc 0
12 mol 204 unq 2 iso 0 dist 6.20044 5.64245 6.35305 8.77524 6.42785 4.51124 numMergedOcc 0
13 mol 204 unq 3 iso 0 dist 6.20044 5.64245 6.35305 8.59764 10.9716 8.41517 numMergedOcc 0
14 mol 204 unq 4 iso 0 dist 8.41232 5.64245 9.23348 8.77524 7.66776 4.51124 numMergedOcc 0
15 mol 204 unq 5 iso 0 dist 8.41232 5.64245 9.23348 8.59764 8.03926 8.41517 numMergedOcc 0
16 mol 204 unq 6 iso 0 dist 9.41996 8.90839 6.35305 10.9304 6.42785 4.51124 numMergedOcc 0
17 mol 204 unq 7 iso 0 dist 9.41996 8.90839 6.35305 17.2209 10.9716 8.41517 numMergedOcc 0
18 mol 250 unq 0 iso 0 dist 7.89067 11.0863 9.45903 13.3025 7.35853 8.73744 numMergedOcc 0
19 mol 250 unq 1 iso 0 dist 7.89067 9.98799 8.51531 13.3025 7.35853 6.61917 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.62494 12.9391 9.85022 6.48382 4.39553 9.6721 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 9.98886 10.1569 5.98155 13.6523 4.56552 8.6262 numMergedOcc 0
22 mol 282 unq 1 iso 0 dist 6.81887 4.54514 5.98155 10.7446 4.56552 8.6262 numMergedOcc 0
