0 mol 20 unq 0 iso 0 dist 9.8099 7.79943 5.06274 10.0815 6.85224 4.6621 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.8099 7.79943 5.06274 13.457 8.04657 11.5288 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 9.35137 4.8024 8.82563 10.6971 6.61889 9.81757 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 5.61656 12.0349 8.54392 6.10646 8.28062 13.7357 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 5.61656 12.0349 8.54392 7.0381 6.90201 6.37795 numMergedOcc 0
5 mol 30 unq 2 iso 0 dist 8.67487 11.7635 8.54392 5.89021 8.28062 13.7357 numMergedOcc 0
6 mol 30 unq 3 iso 0 dist 8.67487 11.7635 8.54392 5.85054 6.90201 6.37795 numMergedOcc 0
7 mol 30 unq 4 iso 0 dist 6.95343 9.86672 8.54392 10.7121 8.28062 13.7357 numMergedOcc 0
8 mol 30 unq 5 iso 0 dist 6.95343 9.86672 8.54392 4.94076 6.90201 6.37795 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.50009 4.87167 7.89091 6.98221 7.20601 11.2671 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 6.50009 4.87167 7.89091 8.11308 8.72806 10.3625 numMergedOcc 0
11 mol 157 unq 0 iso 0 dist 6.8364 6.55112 8.07668 8.0238 6.58984 9.79171 numMergedOcc 0
12 mol 157 unq 1 iso 0 dist 6.8364 3.8758 7.96098 8.0238 6.58984 11.3794 numMergedOcc 0
13 mol 170 unq 0 iso 0 dist 6.36868 4.06625 8.51679 9.275 8.20406 12.0942 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.25629 10.6912 7.27704 13.052 7.83637 14.86 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 9.31373 15.6387 7.27704 8.32583 7.83637 14.86 numMergedOcc 0
16 mol 225 unq 2 iso 0 dist 9.20561 12.2034 7.27704 9.16289 7.83637 14.86 numMergedOcc 0
17 mol 225 unq 3 iso 0 dist 9.88976 7.96183 7.27704 16.6675 7.83637 14.86 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 5.45139 11.1638 7.95081 11.169 6.85567 3.88767 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 8.10769 6.08056 7.95081 6.34419 6.85567 3.88767 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 7.27258 10.8564 8.9427 5.32505 7.34165 6.07592 numMergedOcc 0
21 mol 244 unq 1 iso 0 dist 7.27258 10.8564 8.9427 12.4021 6.61951 12.139 numMergedOcc 0
22 mol 244 unq 2 iso 0 dist 5.29811 12.506 8.9427 10.5501 7.34165 6.07592 numMergedOcc 0
23 mol 244 unq 3 iso 0 dist 5.29811 12.506 8.9427 5.17744 6.61951 12.139 numMergedOcc 0
24 mol 280 unq 0 iso 0 dist 8.65577 4.83983 8.67308 6.19336 8.64557 3.84243 numMergedOcc 0
