0 mol 7 unq 0 iso 0 dist 6.36911 6.81066 5.28535 9.68596 13.0969 14.3521 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.87449 9.80484 3.8646 8.64915 10.9409 12.643 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.87449 9.80484 3.8646 8.17347 8.50857 11.2964 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 9.87449 9.80484 3.8646 7.83133 6.89307 9.00843 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.78293 6.50337 4.73101 7.75618 6.2337 5.46754 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 8.23643 6.50337 12.9293 7.75618 14.4867 5.46754 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 6.20943 6.10339 7.27506 8.40416 11.4087 8.6996 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 7.82528 6.50337 13.3749 7.75618 11.4087 5.46754 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 5.02241 8.58658 11.2725 7.21717 11.0681 3.8037 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 6.77912 4.69674 9.58779 9.27838 4.67641 11.7291 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.80862 6.16081 6.69435 6.73586 4.95807 6.65893 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.43904 6.16081 4.15435 6.73586 7.39626 6.65893 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 9.5574 9.65888 8.1341 6.29233 6.36036 10.3153 numMergedOcc 0
13 mol 126 unq 1 iso 0 dist 9.5574 9.65888 8.1341 5.42406 4.28167 6.73369 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 9.38946 6.89245 13.0273 7.92304 9.50478 5.95578 numMergedOcc 0
15 mol 155 unq 1 iso 0 dist 7.36102 6.89245 9.97388 7.92304 5.50045 5.95578 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 9.19209 9.26162 4.22082 9.69121 6.84883 9.15824 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 8.62646 5.72735 4.34476 9.67741 7.31643 9.40319 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.52634 6.62757 14.6281 9.39352 7.60254 11.3992 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 9.52634 9.36354 9.23083 9.39352 7.60254 9.28375 numMergedOcc 0
20 mol 176 unq 0 iso 0 dist 8.61331 6.32146 8.51898 7.33273 13.7844 13.3098 numMergedOcc 0
21 mol 182 unq 0 iso 0 dist 6.73313 9.07173 13.8801 6.73956 5.8726 9.39191 numMergedOcc 0
22 mol 182 unq 1 iso 0 dist 6.73313 9.07173 13.8801 7.09394 10.7622 3.6277 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 9.19704 7.23959 10.0576 6.03688 14.6029 9.6084 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 7.18041 6.48765 7.51787 6.1951 6.16211 6.53702 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 7.17547 6.48765 12.2094 6.1951 7.21048 6.53702 numMergedOcc 0
26 mol 219 unq 0 iso 0 dist 4.87541 7.68645 9.7667 7.59632 3.92926 10.8057 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 6.82208 8.36659 5.90766 7.67576 7.39748 5.5933 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 6.82208 8.36659 5.90766 9.82371 5.08928 10.9135 numMergedOcc 0
29 mol 222 unq 2 iso 0 dist 6.82208 9.18913 10.7441 7.67576 7.39748 13.2849 numMergedOcc 0
30 mol 222 unq 3 iso 0 dist 6.82208 9.18913 10.7441 9.82371 5.08928 14.5433 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 6.16063 9.18589 14.9393 6.30154 5.70413 14.0878 numMergedOcc 0
32 mol 234 unq 1 iso 0 dist 6.16063 9.18589 14.9393 7.32499 7.17691 11.7131 numMergedOcc 0
33 mol 240 unq 0 iso 0 dist 6.15305 5.31041 10.3605 6.68687 9.66581 6.98179 numMergedOcc 0
34 mol 240 unq 1 iso 0 dist 8.0951 5.31041 4.44789 6.68687 7.03039 6.98179 numMergedOcc 0
35 mol 287 unq 0 iso 0 dist 7.04472 9.29241 6.53691 6.89451 4.481 5.41757 numMergedOcc 0
36 mol 287 unq 1 iso 0 dist 6.4778 9.29241 15.3214 6.89451 12.237 5.41757 numMergedOcc 0
37 mol 288 unq 0 iso 0 dist 7.04472 9.29241 6.53691 6.89451 4.481 5.41757 numMergedOcc 0
38 mol 288 unq 1 iso 0 dist 6.4778 9.29241 15.3214 6.89451 12.237 5.41757 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 7.04472 9.29241 6.53691 6.89451 4.481 5.41757 numMergedOcc 0
40 mol 289 unq 1 iso 0 dist 6.4778 9.29241 15.3214 6.89451 12.237 5.41757 numMergedOcc 0
