0 mol 7 unq 0 iso 0 dist 6.22892 5.13744 6.36911 12.1855 9.87885 7.92429 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.47321 8.48796 8.47421 7.28164 8.55451 5.66192 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.47321 8.48796 8.47421 6.24734 5.8245 3.91075 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 8.17898 12.0005 7.03948 5.37568 6.42835 9.87867 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 8.17898 12.0005 7.03948 9.62324 6.57331 4.68733 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 5.36645 4.16088 8.09058 7.51675 9.17838 8.47849 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 9.10915 12.9814 8.68586 6.24019 9.86334 8.84224 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 8.66921 11.75 8.68586 7.01498 9.86334 8.84224 numMergedOcc 0
8 mol 64 unq 2 iso 0 dist 5.54343 5.68492 8.68586 5.18166 9.86334 8.84224 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 6.87176 11.9261 7.96497 8.41932 7.39665 7.39155 numMergedOcc 0
10 mol 68 unq 1 iso 0 dist 5.57389 7.01859 7.96497 8.95801 7.39665 7.39155 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 6.30194 5.14919 4.65521 10.7557 8.68662 6.10063 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 6.30194 5.14919 4.65521 11.1632 7.4369 6.15714 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 5.79954 13.1044 8.70133 11.5216 9.73086 6.15714 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 7.01889 15.124 8.70133 16.3376 9.73086 6.15714 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 4.83274 13.8036 9.49449 8.55291 9.6952 14.5852 numMergedOcc 0
16 mol 76 unq 1 iso 0 dist 7.89214 6.63393 9.49449 13.2696 9.6952 14.5852 numMergedOcc 0
17 mol 88 unq 0 iso 0 dist 9.25163 10.2577 9.10189 3.42334 7.51139 8.40245 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 5.97879 5.84883 6.73814 5.33859 5.7144 4.81369 numMergedOcc 0
19 mol 127 unq 0 iso 0 dist 7.73139 11.54 9.81878 4.66329 6.08673 12.2579 numMergedOcc 0
20 mol 127 unq 1 iso 0 dist 6.66607 6.09683 9.81878 7.30158 6.08673 12.2579 numMergedOcc 0
21 mol 127 unq 2 iso 0 dist 8.62711 13.376 9.81878 9.74982 6.08673 12.2579 numMergedOcc 0
22 mol 132 unq 0 iso 0 dist 6.2403 6.58856 6.03703 11.6543 6.89918 6.545 numMergedOcc 0
23 mol 132 unq 1 iso 0 dist 8.34869 6.58856 7.61505 11.6543 7.89457 6.545 numMergedOcc 0
24 mol 132 unq 2 iso 0 dist 6.495 10.343 6.03703 7.05332 6.89918 6.545 numMergedOcc 0
25 mol 132 unq 3 iso 0 dist 9.43748 10.343 7.61505 7.05332 7.89457 6.545 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 5.67862 6.30187 5.42582 7.77359 9.33924 6.0991 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 5.67862 6.30187 5.42582 10.8891 7.93372 5.67107 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 7.7292 11.695 5.90931 5.99091 7.9133 11.2106 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 9.40003 13.377 6.97182 7.66602 7.46481 11.357 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 9.40003 9.36638 6.1175 7.66602 7.46481 10.9581 numMergedOcc 0
31 mol 214 unq 2 iso 0 dist 8.68385 8.07861 6.97182 15.5553 7.46481 11.357 numMergedOcc 0
32 mol 214 unq 3 iso 0 dist 8.68385 10.2576 6.1175 15.5553 7.46481 10.9581 numMergedOcc 0
33 mol 219 unq 0 iso 0 dist 9.68515 6.50565 4.87541 9.32356 4.33238 3.78261 numMergedOcc 0
34 mol 219 unq 1 iso 0 dist 8.09769 7.42613 4.87541 4.74338 4.33238 3.78261 numMergedOcc 0
35 mol 219 unq 2 iso 0 dist 6.75833 5.58412 4.87541 6.17123 4.33238 3.78261 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 9.67966 8.71179 9.39181 5.07724 5.64285 6.45373 numMergedOcc 0
37 mol 236 unq 0 iso 0 dist 6.36941 11.4732 5.34718 5.3331 9.3206 13.0765 numMergedOcc 0
38 mol 248 unq 0 iso 0 dist 6.44967 7.99967 8.50864 9.33595 9.05018 13.1523 numMergedOcc 0
39 mol 250 unq 0 iso 0 dist 8.21206 11.1994 8.80086 5.16962 6.59244 6.0473 numMergedOcc 0
40 mol 276 unq 0 iso 0 dist 5.30976 10.4141 8.76347 3.87012 8.6759 13.5196 numMergedOcc 0
41 mol 284 unq 0 iso 0 dist 7.34344 5.83318 4.86729 12.1528 5.83329 7.67245 numMergedOcc 0
