0 mol 12 unq 0 iso 0 dist 8.8993 5.44478 8.27891 9.41745 6.7002 6.9065 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 9.54644 4.10339 13.1554 7.34019 6.26111 9.45335 numMergedOcc 0
2 mol 36 unq 1 iso 0 dist 9.54644 4.10339 13.1554 8.43828 14.9059 5.98566 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 8.22841 5.97418 9.39417 8.60577 6.59479 6.44323 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 5.74014 5.97418 5.30715 8.60577 4.91166 6.44323 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.61203 8.20839 4.73219 6.27528 6.77896 8.8408 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 7.3098 9.52282 7.87498 5.09688 5.06206 6.89762 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 9.66944 5.72494 4.37349 5.94478 9.57454 6.07628 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 9.66944 8.70106 9.29681 5.94478 9.57454 10.2138 numMergedOcc 0
9 mol 125 unq 0 iso 0 dist 9.06392 4.81596 11.9038 8.38646 16.5045 6.06241 numMergedOcc 0
10 mol 160 unq 0 iso 0 dist 5.83519 5.13415 4.62125 9.20228 5.60641 6.18641 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 5.79795 7.33326 10.5369 6.01118 6.96904 5.84525 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 8.86262 7.03216 10.4612 6.31492 4.61382 9.72559 numMergedOcc 0
13 mol 182 unq 1 iso 0 dist 8.86262 9.42196 13.4338 6.31492 4.61382 13.9897 numMergedOcc 0
14 mol 182 unq 2 iso 0 dist 7.23874 7.03216 5.3582 6.31492 8.09718 9.72559 numMergedOcc 0
15 mol 182 unq 3 iso 0 dist 7.23874 9.42196 8.2857 6.31492 8.09718 13.9897 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 9.44978 9.67207 12.9784 9.05666 4.94984 15.8138 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 6.4889 9.31855 5.3246 9.78185 9.42665 13.943 numMergedOcc 0
18 mol 261 unq 0 iso 0 dist 8.40312 9.0643 8.71174 7.26647 12.6092 6.80146 numMergedOcc 0
19 mol 261 unq 1 iso 0 dist 8.40312 9.0643 8.71174 7.7309 13.0522 9.00992 numMergedOcc 0
20 mol 261 unq 2 iso 0 dist 8.40312 7.4202 5.96556 7.26647 12.6092 12.9384 numMergedOcc 0
21 mol 261 unq 3 iso 0 dist 8.40312 7.4202 5.96556 7.7309 13.0522 11.479 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 7.07268 9.71938 4.80236 8.27977 4.51764 9.19671 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 8.07221 7.28238 7.88907 7.70229 12.878 6.17747 numMergedOcc 0
24 mol 282 unq 1 iso 0 dist 8.07221 7.28238 7.88907 7.90792 12.8251 7.94567 numMergedOcc 0
25 mol 282 unq 2 iso 0 dist 8.07221 7.3389 5.6541 7.70229 12.878 13.1327 numMergedOcc 0
26 mol 282 unq 3 iso 0 dist 8.07221 7.3389 5.6541 7.90792 12.8251 11.2762 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 9.24924 6.89455 9.94666 7.92491 7.62155 6.41403 numMergedOcc 0
28 mol 283 unq 1 iso 0 dist 9.24924 8.821 10.1755 7.92491 7.62155 4.69801 numMergedOcc 0
29 mol 283 unq 2 iso 0 dist 9.24924 9.82337 12.098 7.92491 7.62155 13.1972 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 6.81636 4.66252 4.76371 9.22576 9.91979 11.3048 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 6.81636 4.66252 4.76371 9.22576 9.91979 11.3048 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 6.81636 4.66252 4.76371 9.22576 9.91979 11.3048 numMergedOcc 0
