0 mol 12 unq 0 iso 0 dist 5.9021 6.6051 4.86727 11.1357 11.4552 8.18139 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.98466 6.6051 10.763 11.1357 16.0264 8.18139 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 7.71924 5.36278 8.02814 5.3571 7.71617 9.78134 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 4.5844 11.5125 7.13565 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 7.38928 5.35252 5.03338 5.76698 12.5606 8.8645 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.36915 9.53081 13.2937 12.665 16.7433 7.34325 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 8.36915 9.53081 13.2937 14.1985 18.0898 6.42037 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 6.01454 9.53081 5.41488 12.665 8.94842 7.34325 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 6.01454 9.53081 5.41488 14.1985 9.9555 6.42037 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 7.91421 8.13162 7.11238 numMergedOcc 0
11 mol 64 unq 1 iso 0 dist 9.86958 8.85416 5.88036 5.48409 8.13162 7.11238 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 8.4438 4.34694 9.65371 4.93697 7.75341 7.47162 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 7.41952 8.64686 9.57704 7.18389 12.7824 7.82966 numMergedOcc 0
14 mol 79 unq 1 iso 0 dist 7.41952 8.64686 9.57704 11.5374 16.3634 8.26763 numMergedOcc 0
15 mol 79 unq 2 iso 0 dist 7.41952 8.64686 9.57704 5.21981 10.7273 6.30814 numMergedOcc 0
16 mol 79 unq 3 iso 0 dist 7.41952 8.64686 9.57704 8.12985 8.0318 7.318 numMergedOcc 0
17 mol 91 unq 0 iso 0 dist 5.78962 8.91354 7.47242 5.09341 7.77953 9.84288 numMergedOcc 0
18 mol 105 unq 0 iso 0 dist 8.80388 6.11833 5.89806 11.7553 11.6586 9.15226 numMergedOcc 0
19 mol 105 unq 1 iso 0 dist 8.8689 7.12201 5.89806 8.79469 11.6586 9.15226 numMergedOcc 0
20 mol 105 unq 2 iso 0 dist 7.28156 6.11833 6.96209 11.7553 14.5892 9.15226 numMergedOcc 0
21 mol 105 unq 3 iso 0 dist 9.18139 7.12201 6.96209 8.79469 14.5892 9.15226 numMergedOcc 0
22 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 5.33859 12.707 8.40389 numMergedOcc 0
23 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 7.4454 15.3549 9.35701 numMergedOcc 0
24 mol 157 unq 0 iso 0 dist 9.668 6.8976 11.1313 5.332 9.35772 8.9078 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 7.07348 9.96635 10.9312 7.76298 12.0644 7.68074 numMergedOcc 0
26 mol 158 unq 1 iso 0 dist 7.07348 9.96635 10.9312 8.17573 13.0344 9.1854 numMergedOcc 0
27 mol 159 unq 0 iso 0 dist 7.60912 9.9368 13.4546 15.7186 19.6156 9.45909 numMergedOcc 0
28 mol 183 unq 0 iso 0 dist 7.94469 8.84987 6.08215 5.62792 8.51612 7.50455 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 13.4486 13.507 8.09915 numMergedOcc 0
30 mol 210 unq 0 iso 0 dist 6.41444 8.05949 7.48216 10.8542 10.0723 7.80421 numMergedOcc 0
31 mol 210 unq 1 iso 0 dist 6.41444 8.05949 7.48216 14.6074 16.6086 9.71107 numMergedOcc 0
32 mol 210 unq 2 iso 0 dist 6.41444 8.05949 7.48216 13.6787 16.5751 9.7449 numMergedOcc 0
33 mol 220 unq 0 iso 0 dist 7.57716 6.50756 8.34243 4.606 11.5277 9.5745 numMergedOcc 0
34 mol 220 unq 1 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 9.29204 8.87456 8.36102 13.934 17.9562 9.94483 numMergedOcc 0
36 mol 223 unq 1 iso 0 dist 9.14789 8.87456 5.43913 13.934 14.497 9.94483 numMergedOcc 0
37 mol 223 unq 2 iso 0 dist 7.80764 8.87456 13.9763 13.934 15.509 9.94483 numMergedOcc 0
38 mol 223 unq 3 iso 0 dist 5.75896 8.87456 13.8469 13.934 19.0188 9.94483 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 8.71944 8.82663 5.45067 4.22586 9.65116 7.92513 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 7.6402 7.74348 13.5224 7.69003 12.4099 8.75172 numMergedOcc 0
41 mol 239 unq 0 iso 0 dist 8.34832 8.48545 14.2079 3.28983 6.64008 9.993 numMergedOcc 0
42 mol 244 unq 0 iso 0 dist 6.51428 7.79787 13.4155 8.65358 13.2708 8.93589 numMergedOcc 0
43 mol 245 unq 0 iso 0 dist 8.26223 8.0848 4.03241 7.79753 11.6259 9.62608 numMergedOcc 0
44 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 6.46469 9.1515 8.56493 numMergedOcc 0
45 mol 249 unq 1 iso 0 dist 9.04715 3.67935 5.75331 6.46469 14.1233 8.56493 numMergedOcc 0
46 mol 266 unq 0 iso 0 dist 9.77392 9.0836 16.492 7.90149 14.1584 8.9221 numMergedOcc 0
47 mol 266 unq 1 iso 0 dist 9.77392 9.62494 18.9489 7.90149 14.1584 9.51145 numMergedOcc 0
48 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 5.38166 8.18813 6.42951 numMergedOcc 0
49 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 4.91802 8.9352 8.34313 numMergedOcc 0
50 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 4.91802 5.8845 8.34313 numMergedOcc 0
51 mol 287 unq 0 iso 0 dist 8.0935 7.14859 8.13485 13.8618 14.152 8.43856 numMergedOcc 0
52 mol 288 unq 0 iso 0 dist 8.0935 7.14859 8.13485 13.8618 14.152 8.43856 numMergedOcc 0
53 mol 289 unq 0 iso 0 dist 8.0935 7.14859 8.13485 13.8618 14.152 8.43856 numMergedOcc 0
54 mol 292 unq 0 iso 0 dist 9.57857 5.83342 6.00343 7.60595 14.687 9.63325 numMergedOcc 0
55 mol 292 unq 1 iso 0 dist 9.57857 5.83342 6.00343 6.03488 14.2536 8.67283 numMergedOcc 0
