0 mol 1 unq 0 iso 0 dist 5.74199 8.69605 10.4572 7.28542 7.68226 12.6842 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 8.99402 9.78153 17.1926 4.22006 9.75001 12.5238 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 8.99402 9.78153 17.1926 4.87654 9.06457 10.2416 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 7.71924 5.36278 8.02814 5.3571 7.71617 9.78134 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 8.43688 8.37901 3.80563 7.11991 7.73662 6.72365 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 6.01454 9.53081 5.41488 12.665 8.94842 7.34325 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 6.01454 9.53081 5.41488 14.1985 9.9555 6.42037 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 9.3473 8.86433 12.8692 10.6331 6.46589 14.3102 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 6.08228 5.66803 5.88036 7.91421 8.13162 7.11238 numMergedOcc 0
9 mol 64 unq 2 iso 0 dist 9.86958 8.85416 5.88036 5.48409 8.13162 7.11238 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.92936 7.48556 4.97519 8.57639 7.75341 12.4774 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 5.92936 9.47045 9.95663 8.57639 7.75341 15.4618 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 5.92936 8.68218 6.87319 8.57639 7.75341 12.0033 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 8.4438 7.58027 9.96367 4.93697 7.75341 10.2801 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 8.4438 4.34694 9.65371 4.93697 7.75341 7.47162 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 5.69691 8.5069 10.2474 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 7.41952 8.64686 9.57704 8.12985 8.0318 7.318 numMergedOcc 0
17 mol 90 unq 0 iso 0 dist 6.6146 9.06641 5.12529 6.55381 8.48639 12.0429 numMergedOcc 0
18 mol 91 unq 0 iso 0 dist 5.78962 8.91354 7.47242 5.09341 7.77953 9.84288 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 6.68364 6.87456 7.87375 5.88056 5.44814 11.1097 numMergedOcc 0
20 mol 148 unq 0 iso 0 dist 9.71692 9.18753 11.8278 8.01366 8.3656 15.4666 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 9.73708 9.15244 11.6537 8.04136 8.44633 15.4042 numMergedOcc 0
22 mol 157 unq 0 iso 0 dist 9.668 6.8976 11.1313 5.332 9.35772 8.9078 numMergedOcc 0
23 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 8.39434 9.95076 12.4652 numMergedOcc 0
24 mol 162 unq 1 iso 0 dist 8.954 6.59407 7.84996 4.92282 7.76112 9.44259 numMergedOcc 0
25 mol 183 unq 0 iso 0 dist 7.94469 8.84987 6.08215 5.62792 8.51612 7.50455 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 7.30965 6.2016 5.21255 12.8803 7.578 11.2233 numMergedOcc 0
27 mol 192 unq 1 iso 0 dist 7.30965 8.3453 5.1366 12.8803 7.578 12.4215 numMergedOcc 0
28 mol 198 unq 0 iso 0 dist 4.58291 8.51153 3.96154 6.35535 9.12973 12.7107 numMergedOcc 0
29 mol 210 unq 0 iso 0 dist 6.41444 8.05949 7.48216 4.78349 9.11574 12.7666 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 7.57712 5.25149 10.1832 7.47274 7.27248 12.2711 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 7.57712 8.6368 13.4455 7.47274 7.27248 13.0124 numMergedOcc 0
32 mol 220 unq 2 iso 0 dist 7.20255 5.25149 9.96224 7.47274 9.50216 12.2711 numMergedOcc 0
33 mol 220 unq 3 iso 0 dist 7.20255 8.6368 8.70221 7.47274 9.50216 13.0124 numMergedOcc 0
34 mol 220 unq 4 iso 0 dist 8.98362 6.50756 5.82963 4.606 9.21416 9.5745 numMergedOcc 0
35 mol 223 unq 0 iso 0 dist 7.80764 6.97426 12.6805 8.1388 8.85178 14.6463 numMergedOcc 0
36 mol 223 unq 1 iso 0 dist 7.80764 6.97426 12.6805 14.288 9.73123 20.1763 numMergedOcc 0
37 mol 223 unq 2 iso 0 dist 7.80764 8.87456 13.9763 8.1388 8.85178 17.0039 numMergedOcc 0
38 mol 223 unq 3 iso 0 dist 7.80764 8.87456 13.9763 14.288 9.73123 19.7672 numMergedOcc 0
39 mol 223 unq 4 iso 0 dist 5.75896 6.97426 10.6184 8.1388 5.50267 14.6463 numMergedOcc 0
40 mol 223 unq 5 iso 0 dist 5.75896 8.87456 13.8469 8.1388 5.50267 17.0039 numMergedOcc 0
41 mol 224 unq 0 iso 0 dist 8.71944 8.82663 5.45067 4.22586 9.65116 7.92513 numMergedOcc 0
42 mol 239 unq 0 iso 0 dist 8.34832 8.48545 14.2079 3.28983 6.64008 9.993 numMergedOcc 0
43 mol 244 unq 0 iso 0 dist 6.51428 7.43391 4.69664 11.8733 8.42464 11.2389 numMergedOcc 0
44 mol 244 unq 1 iso 0 dist 6.51428 7.79787 13.4155 11.8733 8.42464 19.6201 numMergedOcc 0
45 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 6.46469 9.1515 8.56493 numMergedOcc 0
46 mol 249 unq 1 iso 0 dist 7.58833 8.00386 10.9665 6.46469 9.1515 14.1386 numMergedOcc 0
47 mol 266 unq 0 iso 0 dist 6.58277 6.57444 5.91091 12.6355 9.97206 10.9977 numMergedOcc 0
48 mol 266 unq 1 iso 0 dist 6.58277 7.9555 3.93133 12.6355 9.97206 13.2182 numMergedOcc 0
49 mol 266 unq 2 iso 0 dist 8.42706 8.8646 3.93133 16.8963 9.97206 13.2182 numMergedOcc 0
50 mol 266 unq 3 iso 0 dist 8.12204 9.39714 5.91091 5.85295 9.97206 10.9977 numMergedOcc 0
51 mol 273 unq 0 iso 0 dist 8.26333 6.02879 5.40861 10.4999 8.31704 11.7246 numMergedOcc 0
52 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 5.38166 8.18813 6.42951 numMergedOcc 0
53 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 4.91802 8.9352 8.34313 numMergedOcc 0
54 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 4.91802 5.8845 8.34313 numMergedOcc 0
55 mol 283 unq 0 iso 0 dist 7.53773 9.243 6.85055 5.60193 9.4181 12.9834 numMergedOcc 0
