0 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 6.74026 6.54358 4.10106 6.09937 7.28643 8.68293 9.32171 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.89666 4.73237 4.61088 6.74026 6.54358 4.10106 9.94905 9.68636 6.84216 9.89425 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.63928 6.17631 6.03987 4.88495 7.99919 4.77954 11.3003 9.92243 7.03372 11.6392 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.4551 8.78063 6.97941 5.79134 9.6952 8.66662 6.46582 3.69293 7.61521 10.9358 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 6.97936 7.7068 6.36397 14.0035 8.37717 9.01812 13.4949 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 7.09333 8.80934 5.70579 9.86767 13.0914 9.59585 4.30875 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 8.89481 4.36935 5.86073 7.09333 8.80934 5.70579 12.94 12.5818 9.7073 8.65807 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 8.71432 6.08673 12.8087 13.884 12.7606 5.39356 17.4196 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 9.42513 8.60326 9.30299 8.71432 6.08673 12.8087 12.5636 12.6193 9.92746 16.9845 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 9.60065 7.36975 13.1926 10.5624 6.75249 8.64905 11.7801 numMergedOcc 0
10 mol 143 unq 1 iso 0 dist 8.30654 11.3469 5.99315 4.68518 5.40637 7.39837 10.5624 6.75249 8.64905 6.60366 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 5.96555 10.7091 7.26832 6.96644 6.52816 13.514 16.1999 13.3822 7.13783 19.8921 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 4.91709 5.56538 6.84862 4.90656 8.89157 5.1609 8.88902 numMergedOcc 0
13 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 5.96186 7.48954 9.53117 4.90656 8.89157 5.1609 9.83916 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 6.42725 8.70769 5.30224 11.761 8.03219 4.04513 9.9749 5.96249 9.18798 12.3781 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 6.42725 8.70769 5.30224 11.761 8.03219 4.04513 6.69951 5.97386 8.25897 12.1864 numMergedOcc 0
16 mol 259 unq 2 iso 0 dist 6.42725 8.70769 5.30224 6.09466 6.9899 7.09907 9.9749 5.96249 9.18798 12.745 numMergedOcc 0
17 mol 259 unq 3 iso 0 dist 6.42725 8.70769 5.30224 6.09466 6.9899 7.09907 6.69951 5.97386 8.25897 10.838 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 12.7269 9.35539 11.4555 5.11998 7.75371 5.69112 10.9065 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 9.29635 10.8075 9.7748 12.7269 9.35539 11.4555 5.79925 11.3546 7.2091 12.5292 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 9.29635 10.8075 9.7748 12.2421 8.9682 17.6038 5.11998 7.75371 5.69112 13.9096 numMergedOcc 0
21 mol 277 unq 3 iso 0 dist 9.29635 10.8075 9.7748 12.2421 8.9682 17.6038 5.79925 11.3546 7.2091 16.9668 numMergedOcc 0
22 mol 277 unq 4 iso 0 dist 9.29635 10.8075 9.7748 10.9521 6.92711 14.772 5.11998 7.75371 5.69112 11.5963 numMergedOcc 0
23 mol 277 unq 5 iso 0 dist 9.29635 10.8075 9.7748 10.9521 6.92711 14.772 5.79925 11.3546 7.2091 14.8995 numMergedOcc 0
