0 mol 9 unq 0 iso 0 dist 6.3716 6.06761 6.20227 11.3707 6.21879 8.04924 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.08108 6.31651 6.6347 13.5289 11.5235 7.25684 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.08108 6.31651 6.6347 10.2245 3.8646 8.22285 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.62613 6.36657 6.6347 11.7932 11.5235 7.25684 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 6.62613 6.36657 6.6347 10.2966 3.8646 8.22285 numMergedOcc 0
5 mol 28 unq 0 iso 0 dist 7.56095 9.54812 7.37857 12.676 7.98041 5.38074 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 7.56095 7.33943 4.7978 12.676 7.98041 9.07545 numMergedOcc 0
7 mol 28 unq 2 iso 0 dist 8.9136 5.15435 8.08195 6.83794 4.08844 5.38074 numMergedOcc 0
8 mol 28 unq 3 iso 0 dist 8.9136 6.10351 5.78587 6.83794 4.08844 6.77538 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 9.23087 12.1527 5.44028 14.752 6.29218 8.80104 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 7.22098 7.13575 6.98727 4.9128 4.98364 9.41723 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 5.94417 5.72753 9.32166 14.2216 13.8263 9.9016 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 7.48283 5.72753 5.92729 14.2216 7.6283 9.9016 numMergedOcc 0
13 mol 120 unq 2 iso 0 dist 9.35573 9.0525 9.23243 11.2331 4.07626 8.43028 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 8.78761 6.41267 6.49708 14.3934 12.0468 8.12589 numMergedOcc 0
15 mol 148 unq 1 iso 0 dist 5.69707 8.58803 6.49708 16.2171 12.0468 8.12589 numMergedOcc 0
16 mol 150 unq 0 iso 0 dist 8.75537 6.48054 6.45018 14.4313 12.1191 8.11592 numMergedOcc 0
17 mol 150 unq 1 iso 0 dist 5.62239 8.52718 6.45018 16.1905 12.1191 8.11592 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 5.10016 5.20422 7.48626 6.35728 4.77836 5.10114 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 9.27398 10.8446 6.45821 15.2122 7.51787 6.23898 numMergedOcc 0
20 mol 230 unq 0 iso 0 dist 9.48167 9.7405 7.74885 17.3246 10.0105 8.85215 numMergedOcc 0
21 mol 230 unq 1 iso 0 dist 9.2573 9.97168 7.74885 15.2497 10.0105 8.85215 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 7.14928 5.91026 8.32964 13.0493 12.5901 7.33613 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.57582 4.6907 4.57246 10.2058 7.61474 9.51311 numMergedOcc 0
