0 mol 98 unq 0 iso 0 dist 5.9747 10.4417 6.48948 7.34638 7.03983 7.02507 4.24815 4.50572 9.63267 6.0995 numMergedOcc 0
1 mol 98 unq 1 iso 0 dist 5.9747 11.3628 6.10456 14.2657 10.4782 7.54889 16.8401 14.4342 12.7318 5.33961 numMergedOcc 0
2 mol 98 unq 2 iso 0 dist 5.9747 11.3628 6.10456 14.2657 10.4782 7.54889 20.6325 16.5524 14.676 9.29816 numMergedOcc 0
3 mol 98 unq 3 iso 0 dist 5.9747 11.3628 6.10456 14.2657 10.4782 7.54889 16.72 12.3884 7.1452 5.08983 numMergedOcc 0
4 mol 98 unq 4 iso 0 dist 4.50572 6.88489 5.08437 8.32269 3.9764 5.10496 4.24815 5.9747 4.75138 8.3505 numMergedOcc 0
5 mol 98 unq 5 iso 0 dist 4.50572 9.63267 6.48948 8.32269 3.9764 5.92242 4.24815 5.9747 10.4417 8.3505 numMergedOcc 0
6 mol 98 unq 6 iso 0 dist 4.50572 9.63267 6.48948 6.0995 7.03983 7.02507 4.24815 5.9747 10.4417 7.34638 numMergedOcc 0
7 mol 98 unq 7 iso 0 dist 4.50572 9.82583 6.10456 14.7607 10.4782 7.54889 18.4062 14.4342 12.7318 5.33961 numMergedOcc 0
8 mol 98 unq 8 iso 0 dist 4.50572 9.82583 6.10456 14.7607 10.4782 7.54889 20.9043 16.5524 14.676 9.29816 numMergedOcc 0
9 mol 98 unq 9 iso 0 dist 4.50572 9.82583 6.10456 14.7607 10.4782 7.54889 16.3776 12.3884 7.1452 5.08983 numMergedOcc 0
10 mol 98 unq 10 iso 0 dist 4.50572 9.82583 6.10456 8.32269 3.9764 5.2571 4.24815 5.9747 11.3628 8.3505 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 17.3399 13.0886 7.86666 18.2939 17.0778 10.0698 6.67635 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 8.3164 11.5656 8.69985 9.94704 5.00433 8.52024 6.79125 11.1103 10.6893 9.46621 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 16.2777 15.3161 9.42082 14.8339 18.633 11.8122 8.42219 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 4.98864 6.59772 6.11741 9.47795 6.07067 6.39384 10.7282 10.8398 5.24961 8.42219 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 4.98864 10.9437 7.88312 9.47795 6.07067 9.42082 10.7282 10.8398 11.8122 8.42219 numMergedOcc 0
16 mol 115 unq 3 iso 0 dist 7.95871 4.86477 6.11741 9.29473 6.07067 6.39384 6.56935 10.8398 5.24961 8.42219 numMergedOcc 0
17 mol 115 unq 4 iso 0 dist 7.95871 12.0354 7.88312 9.29473 6.07067 9.42082 6.56935 10.8398 11.8122 8.42219 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 6.90827 5.27151 7.83136 6.78655 3.55765 8.19331 5.70541 8.90977 10.6616 9.42037 numMergedOcc 0
19 mol 117 unq 1 iso 0 dist 6.90827 4.45276 7.0603 6.78655 3.55765 8.85711 5.70541 8.90977 4.98254 9.42037 numMergedOcc 0
20 mol 117 unq 2 iso 0 dist 8.90977 10.6616 7.83136 9.42037 3.55765 8.19331 5.70541 6.90827 5.27151 6.78655 numMergedOcc 0
21 mol 117 unq 3 iso 0 dist 8.90977 4.98254 7.0603 9.42037 3.55765 8.85711 5.70541 6.90827 4.45276 6.78655 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 12.3555 7.41373 9.33094 6.22325 9.55556 11.9294 8.78303 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 12.3555 7.41373 8.69531 6.22325 9.55556 6.36794 8.78303 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 9.60411 10.5108 6.37586 12.3555 10.8635 9.33094 6.22325 12.1043 11.9294 8.78303 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 9.60411 6.20443 9.71307 12.3555 10.8635 8.69531 6.22325 12.1043 6.36794 8.78303 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 11.298 12.0033 9.2289 15.3373 16.5098 7.91498 8.77904 numMergedOcc 0
27 mol 167 unq 1 iso 0 dist 5.59806 8.66436 9.87651 11.5835 11.6011 7.02548 15.3373 16.5098 7.91498 6.48993 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.752 4.2475 7.45763 6.41148 8.67921 6.49765 4.20051 5.4913 6.8901 5.06713 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 5.4913 6.8901 7.45763 5.06713 8.67921 6.49765 4.20051 6.752 4.2475 6.41148 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 7.13727 7.06793 9.72188 5.00891 8.59074 9.18011 8.56975 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 8.59074 9.18011 5.72887 8.56975 7.06793 9.72188 5.00891 9.94315 12.521 7.13727 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 6.2365 4.7157 5.72887 10.5721 7.06793 9.72188 10.4116 9.94315 12.521 7.13727 numMergedOcc 0
33 mol 238 unq 3 iso 0 dist 6.2365 4.7157 5.72887 10.5721 7.06793 9.72188 6.21773 8.59074 9.18011 8.56975 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 14.1679 10.6736 6.73665 17.3461 13.2218 9.86326 7.63381 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 16.793 12.2293 9.46361 19.2698 13.6898 12.1767 7.72489 numMergedOcc 0
