0 mol 18 unq 0 iso 0 dist 5.32149 8.81762 7.14832 4.86477 9.1397 10.1931 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.90024 6.84521 5.06502 16.9091 9.02471 13.9823 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.90024 6.78532 6.45462 16.9091 9.02471 13.2795 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.29446 5.8992 11.5966 13.5358 7.69072 17.9015 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.96446 6.70686 5.04493 12.0126 5.42067 7.36435 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 6.70686 9.96446 5.04493 12.0126 7.36435 5.42067 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 7.90775 8.49531 14.3902 6.56529 7.51733 15.0497 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 7.24527 7.4389 4.98336 4.61206 9.63963 9.56598 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.71345 6.99793 11.6284 11.5242 9.93438 18.3279 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 6.44195 7.34207 9.41666 5.71332 8.89394 10.5628 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 6.53913 7.9895 9.36756 5.60897 5.36671 12.3647 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.0639 6.91355 6.85436 4.59453 9.65093 11.3524 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 6.18446 9.96544 5.43601 9.33865 9.23086 13.9122 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 5.82039 6.22964 7.08143 12.4707 9.4629 15.3729 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 6.95233 9.61741 13.0015 4.5731 9.29666 12.1684 numMergedOcc 0
15 mol 266 unq 1 iso 0 dist 6.95233 5.61056 7.49927 4.5731 9.29666 9.96191 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 8.53324 7.151 7.69449 9.7252 7.42932 12.762 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 8.53324 7.23956 7.08227 9.7252 7.42932 4.9764 numMergedOcc 0
18 mol 277 unq 2 iso 0 dist 7.23956 7.151 11.8268 9.7252 4.9764 12.762 numMergedOcc 0
19 mol 277 unq 3 iso 0 dist 7.23956 7.151 11.8268 10.5201 6.36559 14.7874 numMergedOcc 0
20 mol 277 unq 4 iso 0 dist 7.23956 8.53324 7.08227 9.7252 4.9764 7.42932 numMergedOcc 0
21 mol 277 unq 5 iso 0 dist 7.23956 8.53324 7.08227 10.5201 6.36559 10.5562 numMergedOcc 0
22 mol 277 unq 6 iso 0 dist 8.66941 8.33977 7.69449 10.3675 7.42932 12.762 numMergedOcc 0
