0 mol 7 unq 0 iso 0 dist 8.8576 5.83293 6.8464 10.4545 8.41585 5.0893 5.33843 5.99459 4.65291 6.88805 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 7.0208 5.1956 5.36937 10.5465 9.58196 6.03847 5.8449 8.84686 3.80208 5.76302 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 7.28563 6.38279 5.36937 12.3645 9.58196 6.03847 8.29358 8.84686 3.80208 5.76302 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 8.46609 9.47661 7.15352 4.72836 6.65595 9.28444 12.2249 7.57295 10.7546 7.80499 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 8.46609 9.47661 7.15352 9.1013 9.25011 11.0491 12.2249 7.57295 10.7546 5.6397 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 8.46609 9.47661 7.15352 12.4802 6.43294 4.80738 12.2249 7.57295 10.7546 8.62476 numMergedOcc 0
6 mol 60 unq 3 iso 0 dist 8.46609 9.47661 7.15352 11.7276 8.52121 6.28337 12.2249 7.57295 10.7546 6.55502 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.11612 5.73904 7.9258 10.3475 9.33865 10.9791 3.85674 6.24825 6.27754 6.95773 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.11612 5.73904 7.9258 6.86762 5.83991 4.75197 3.85674 6.24825 6.27754 6.01673 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 8.054 8.9579 8.75778 9.57532 8.37808 9.00329 9.02961 6.00603 4.06619 6.15636 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 6.47346 11.0685 8.59695 6.90896 5.83384 6.13737 4.0844 5.58833 11.7456 9.00231 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 6.47346 3.86284 6.42706 6.90896 5.83384 5.12351 4.0844 5.58833 7.04681 9.00231 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 7.14849 12.4035 9.63185 6.96904 6.69288 14.4816 3.95924 9.11204 11.4463 8.44333 numMergedOcc 0
13 mol 178 unq 1 iso 0 dist 7.14849 12.4035 9.63185 7.57303 6.43573 10.2893 3.95924 9.11204 11.4463 6.8202 numMergedOcc 0
14 mol 178 unq 2 iso 0 dist 7.14849 12.4035 9.63185 14.0459 7.17202 9.7684 3.95924 9.11204 11.4463 14.9499 numMergedOcc 0
15 mol 178 unq 3 iso 0 dist 7.14849 12.4035 9.63185 14.3001 8.81551 5.37264 3.95924 9.11204 11.4463 14.2467 numMergedOcc 0
16 mol 178 unq 4 iso 0 dist 8.63718 7.28647 9.63185 11.5509 6.69288 14.4816 12.5927 9.11204 11.4463 8.44333 numMergedOcc 0
17 mol 178 unq 5 iso 0 dist 8.63718 7.28647 9.63185 7.31401 6.43573 10.2893 12.5927 9.11204 11.4463 6.8202 numMergedOcc 0
18 mol 178 unq 6 iso 0 dist 8.63718 7.28647 9.63185 5.91018 7.17202 9.7684 12.5927 9.11204 11.4463 14.9499 numMergedOcc 0
19 mol 178 unq 7 iso 0 dist 8.63718 7.28647 9.63185 4.92895 8.81551 5.37264 12.5927 9.11204 11.4463 14.2467 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 6.20646 12.7269 9.44947 5.21426 7.10633 10.5243 6.05253 7.9133 14.13 10.7169 numMergedOcc 0
21 mol 204 unq 1 iso 0 dist 6.20646 12.7269 9.44947 8.35604 8.51516 10.2677 6.05253 7.9133 14.13 5.57347 numMergedOcc 0
22 mol 204 unq 2 iso 0 dist 6.73266 7.03981 9.44947 5.57112 7.10633 10.5243 13.3588 7.9133 14.13 10.7169 numMergedOcc 0
23 mol 204 unq 3 iso 0 dist 6.73266 7.03981 9.44947 12.1292 8.51516 10.2677 13.3588 7.9133 14.13 5.57347 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 5.99137 7.15062 7.87233 13.7629 9.81562 15.6279 13.9834 9.3206 16.5242 4.27181 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 5.99137 7.15062 7.87233 13.3575 7.68742 13.7246 13.9834 9.3206 16.5242 4.89609 numMergedOcc 0
26 mol 236 unq 2 iso 0 dist 5.99137 7.15062 7.87233 5.03598 6.27581 10.5269 13.9834 9.3206 16.5242 10.5774 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 9.64889 10.6345 4.81916 15.4648 9.7748 7.94155 5.36788 9.35539 9.31926 11.4555 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 9.64889 10.6345 4.81916 15.4648 9.7748 7.94155 15.23 8.9682 13.1828 17.6038 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 9.64889 10.6345 4.81916 15.4648 9.7748 7.94155 15.0167 6.92711 10.6994 14.772 numMergedOcc 0
30 mol 280 unq 0 iso 0 dist 9.0021 7.41099 5.41639 12.6862 6.53701 8.26589 9.81388 6.02353 4.06908 4.90315 numMergedOcc 0
